Publications

@article{WOS:001099757900001,

title = {Simulation of intragranular plastic deformation localization in FCC 

 polycrystals by Discrete Dislocation Dynamics},

author = {Baptiste Joste and Benoit Devincre and Riccardo Gatti and Henry Proudhon},

doi = {10.1088/1361-651X/ad02b0},

issn = {0965-0393},

year  = {2023},

date = {2023-12-01},

journal = {MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING},

volume = {31},

number = {8},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{PhysRevLett.131.206902,

title = {Distinguishing Different Stackings in Layered Materials via Luminescence Spectroscopy},

author = {Matteo Zanfrognini and Alexandre Plaud and Ingrid Stenger and Fr\'{e}d\'{e}ric Fossard and Lorenzo Sponza and L\'{e}onard Schu\'{e} and Fulvio Paleari and Elisa Molinari and Daniele Varsano and Ludger Wirtz and Franıfmmode mbox\c{c}else \c{c}fiois Ducastelle and Annick Loiseau and Julien Barjon},

url = {https://link.aps.org/doi/10.1103/PhysRevLett.131.206902},

doi = {10.1103/PhysRevLett.131.206902},

year  = {2023},

date = {2023-11-01},

journal = {Phys. Rev. Lett.},

volume = {131},

issue = {20},

pages = {206902},

publisher = {American Physical Society},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{WOS:000983068800001,

title = {\textit{η}-Carbides (Co, Mo, or W) Nanoparticles from Octacyanometalates 

 Precursors-Based Network},

author = {Thomas Blin and Armelle Girard and Frederic Fossard and Nathalie Guillou and Laure Catala and Annick Loiseau and Vincent Huc},

doi = {10.1002/smll.202301299},

issn = {1613-6810},

year  = {2023},

date = {2023-09-01},

journal = {SMALL},

volume = {19},

number = {37},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{WOS:001046204900001,

title = {Tuning Elastic Properties of Metallic Nanoparticles by Shape 

 Controlling: From Atomistic to Continuous Models},

author = {Matteo Erbi and Hakim Amara and Riccardo Gatti},

doi = {10.1002/smll.202302116},

issn = {1613-6810},

year  = {2023},

date = {2023-08-01},

journal = {SMALL},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{WOS:001023874800010,

title = {Atomic-Scale Surface Segregation in Copper-Gold Nanoparticles},

author = {Gregoire Breyton and Hakim Amara and Jaysen Nelayah and Jerome Creuze and Hazar Guesmi and Damien Alloyeau and Guillaume Wang and Christian Ricolleau},

doi = {10.1103/PhysRevLett.130.236201},

issn = {0031-9007},

year  = {2023},

date = {2023-06-01},

journal = {PHYSICAL REVIEW LETTERS},

volume = {130},

number = {23},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{WOS:001011196400005,

title = {Two-Photon Interference from a Quantum Emitter in Hexagonal Boron 

 Nitride},

author = {Clarisse Fournier and Sebastien Roux and Kenji Watanabe and Takashi Taniguchi and Stephanie Buil and Julien Barjon and Jean-Pierre Hermier and Aymeric Delteil},

doi = {10.1103/PhysRevApplied.19.L041003},

issn = {2331-7019},

year  = {2023},

date = {2023-04-01},

journal = {PHYSICAL REVIEW APPLIED},

volume = {19},

number = {4},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{WOS:000984454500057,

title = {Quantum annealing for microstructure equilibration with long-range 

 elastic interactions},

author = {Roland Sandt and Yann Le Bouar and Robert Spatschek},

doi = {10.1038/s41598-023-33232-w},

issn = {2045-2322},

year  = {2023},

date = {2023-04-01},

journal = {SCIENTIFIC REPORTS},

volume = {13},

number = {1},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{WOS:000953941100001,

title = {Structural Size Effect in Capped Metallic Nanoparticles},

author = {Cora Moreira Da Silva and Armelle Girard and Yann Le Bouar and Frederic Fossard and Diana Dragoe and Francois Ducastelle and Annick Loiseau and Vincent Huc},

doi = {10.1021/acsnano.2c11825},

issn = {1936-0851},

year  = {2023},

date = {2023-03-01},

journal = {ACS NANO},

volume = {17},

number = {6},

pages = {5663-5672},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{WOS:000974981200003,

title = {Structural classification of boron nitride twisted bilayers and ab 

 initio investigation of their stacking-dependent electronic structure},

author = {Sylvain Latil and Hakim Amara and Lorenzo Sponza},

doi = {10.21468/SciPostPhys.14.3.053},

issn = {2542-4653},

year  = {2023},

date = {2023-03-01},

journal = {SCIPOST PHYSICS},

volume = {14},

number = {3},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{WOS:000914180000001,

title = {Fluorescence anisotropy using highly polarized emitting dyes confined 

 inside BNNTs},

author = {A. Badon and J. -B Marceau and C. Allard and F. Fossard and A. Loiseau and L. Cognet and E. Flahaut and G. Recher and N. Izard and R. Martel and E. Gaufres},

doi = {10.1039/d2mh01239a},

issn = {2051-6347},

year  = {2023},

date = {2023-03-01},

journal = {MATERIALS HORIZONS},

volume = {10},

number = {3},

pages = {983-992},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{WOS:000912471900001,

title = {Thermal stability of thin hexagonal boron nitride grown by MOVPE on 

 epigraphene},

author = {V Ottapilakkal and A. Juyal and S. Sundaram and P. Vuong and A. Mballo and L. Beck and G. Nunn and Y. Su and A. Loiseau and F. Fossard and J. S. Merot and D. Chapron and T. H. Kauffmann and J. P. Salvestrini and P. L. Voss and W. A. Heer and C. Berger and A. Ougazzaden},

doi = {10.1016/j.jcrysgro.2022.127030},

issn = {0022-0248},

year  = {2023},

date = {2023-02-01},

journal = {JOURNAL OF CRYSTAL GROWTH},

volume = {603},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{WOS:000880412500001,

title = {Molecular beam epitaxial growth of multilayer 2D-boron nitride on Ni 

 substrates from borazine and plasma-activated nitrogen},

author = {Jawad Hadid and Ivy Colambo and Jose Avila and Alexandre Plaud and Christophe Boyaval and Dominique Deresmes and Nicolas Nuns and Pavel Dudin and Annick Loiseau and Julien Barjon and Xavier Wallart and Dominique Vignaud},

doi = {10.1088/1361-6528/ac99e5},

issn = {0957-4484},

year  = {2023},

date = {2023-01-01},

journal = {NANOTECHNOLOGY},

volume = {34},

number = {3},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{WOS:000883068400001,

title = {Synthesis and structural properties of high-entropy nanoalloys made by 

 physical and chemical routes},

author = {Andrea Barbero and Cora Moreira Da Silva and Nathaly Ortiz Pena and Nour Kefane and Abdallah Jaafar and Maxence Thorey and Hicham Bouaia and Jaysen Nelayah and Guillaume Wang and Hakim Amara and Christian Ricolleau and Vincent Huc and Damien Alloyeau},

doi = {10.1039/d2fd00118g},

issn = {1359-6640},

year  = {2023},

date = {2023-01-01},

journal = {FARADAY DISCUSSIONS},

volume = {242},

number = {0},

pages = {129-143},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{BARBOT2023112459,

title = {Unsupervised learning for structure detection in plastically deformed crystals},

author = {Armand Barbot and Riccardo Gatti},

url = {https://www.sciencedirect.com/science/article/pii/S0927025623004536},

doi = {https://doi.org/10.1016/j.commatsci.2023.112459},

issn = {0927-0256},

year  = {2023},

date = {2023-01-01},

journal = {Computational Materials Science},

volume = {230},

pages = {112459},

abstract = {Detecting structures at the particle scale within plastically deformed crystalline materials allows a better understanding of the occurring phenomena. While previous approaches mostly relied on applying hand-chosen criteria on different local parameters, these approaches could only detect already known structures. We introduce an unsupervised learning algorithm to automatically detect structures within a crystal under plastic deformation. This approach is based on a study developed for structural detection on colloidal materials. This algorithm has the advantage of being computationally fast and easy to implement. We show that by using local parameters based on bond-angle distributions, we are able to detect more structures and with a higher degree of precision than traditional hand-made criteria.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Hadid_2023,

title = {Molecular beam epitaxial growth of multilayer 2D-boron nitride on Ni substrates from borazine and plasma-activated nitrogen},

author = {Jawad Hadid and Ivy Colambo and Jose Avila and Alexandre Plaud and Christophe Boyaval and Dominique Deresmes and Nicolas Nuns and Pavel Dudin and Annick Loiseau and Julien Barjon and Xavier Wallart and Dominique Vignaud},

url = {https://dx.doi.org/10.1088/1361-6528/ac99e5},

doi = {10.1088/1361-6528/ac99e5},

year  = {2022},

date = {2022-11-01},

journal = {Nanotechnology},

volume = {34},

number = {3},

pages = {035601},

publisher = {IOP Publishing},

abstract = {2D boron nitride (2D-BN) was synthesized by gas-source molecular beam epitaxy on polycrystalline and monocrystalline Ni substrates using gaseous borazine and active nitrogen generated by a remote plasma source. The excess of nitrogen atoms allows to overcome the thickness self-limitation active on Ni when using borazine alone. The nucleation density and the shape of the 2D-BN domains are clearly related to the Ni substrate preparation and to the growth parameters. Based on spatially-resolved photoemission spectroscopy and on the detection of the π plasmon peak, we discuss the origin of the N1s and B1s components and their relationship with an electronic coupling at the interface. After optimization of the growth parameters, a full 2D-BN coverage is obtained, although the material thickness is not evenly distributed. The 2D-BN presents a granular structure on (111) oriented Ni grains, showing a rather poor cristallographic quality. On the contrary, high quality 2D-BN is found on (101) and (001) Ni grains, where triangular islands are observed whose lateral size is limited to ∼20 μm.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Hadid_2023b,

title = {Molecular beam epitaxial growth of multilayer 2D-boron nitride on Ni substrates from borazine and plasma-activated nitrogen},

author = {Jawad Hadid and Ivy Colambo and Jose Avila and Alexandre Plaud and Christophe Boyaval and Dominique Deresmes and Nicolas Nuns and Pavel Dudin and Annick Loiseau and Julien Barjon and Xavier Wallart and Dominique Vignaud},

url = {https://dx.doi.org/10.1088/1361-6528/ac99e5},

doi = {10.1088/1361-6528/ac99e5},

year  = {2022},

date = {2022-11-01},

journal = {Nanotechnology},

volume = {34},

number = {3},

pages = {035601},

publisher = {IOP Publishing},

abstract = {2D boron nitride (2D-BN) was synthesized by gas-source molecular beam epitaxy on polycrystalline and monocrystalline Ni substrates using gaseous borazine and active nitrogen generated by a remote plasma source. The excess of nitrogen atoms allows to overcome the thickness self-limitation active on Ni when using borazine alone. The nucleation density and the shape of the 2D-BN domains are clearly related to the Ni substrate preparation and to the growth parameters. Based on spatially-resolved photoemission spectroscopy and on the detection of the π plasmon peak, we discuss the origin of the N1s and B1s components and their relationship with an electronic coupling at the interface. After optimization of the growth parameters, a full 2D-BN coverage is obtained, although the material thickness is not evenly distributed. The 2D-BN presents a granular structure on (111) oriented Ni grains, showing a rather poor cristallographic quality. On the contrary, high quality 2D-BN is found on (101) and (001) Ni grains, where triangular islands are observed whose lateral size is limited to ∼20 μm.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{WOS:000880112000013,

title = {Cathodoluminescence monitoring of quantum emitter activation in 

 hexagonal boron nitride},

author = {Sebastien Roux and Clarisse Fournier and Kenji Watanabe and Takashi Taniguchi and Jean-Pierre Hermier and Julien Barjon and Aymeric Delteil},

doi = {10.1063/5.0126357},

issn = {0003-6951},

year  = {2022},

date = {2022-10-01},

journal = {APPLIED PHYSICS LETTERS},

volume = {121},

number = {18},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Pierret_2022,

title = {Dielectric permittivity, conductivity and breakdown field of hexagonal boron nitride},

author = {A Pierret and D Mele and H Graef and J Palomo and T Taniguchi and K Watanabe and Y Li and B Toury and C Journet and P Steyer and V Garnier and A Loiseau and J-M Berroir and E Bocquillon and G F\`{e}ve and C Voisin and E Baudin and M Rosticher and B Pla\c{c}ais},

url = {https://doi.org/10.1088/2053-1591/ac4fe1},

doi = {10.1088/2053-1591/ac4fe1},

year  = {2022},

date = {2022-06-01},

journal = {Materials Research Express},

volume = {9},

number = {6},

pages = {065901},

publisher = {IOP Publishing},

abstract = {In view of the extensive use of hexagonal boron nitride (hBN) in 2D material electronics, it becomes important to refine its dielectric characterization in terms of low-field permittivity and high-field strength and conductivity up to the breakdown voltage. The present study aims at filling this gap using DC and RF transport in two Au-hBN-Au capacitor series of variable thickness in the 10\textendash100 nm range, made of large high-pressure, high-temperature (HPHT) crystals and a polymer derivative ceramics (PDC) crystals. We deduce an out-of-plane low field dielectric constant ϵ ∥ = 3.4 ± 0.2 consistent with the theoretical prediction of Ohba et al, that narrows down the generally accepted window ϵ ∥ = 3\textendash4. The DC-current leakage at high-field is found to obey the Frenkel-Pool law for thermally-activated trap-assisted electron transport with a dynamic dielectric constant ϵ ∥ ≃ 3.1 and a trap energy Φ B ≃ 1.3 eV, that is comparable with standard technologically relevant dielectrics.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{PhysRevB.105.165403,

title = {Effect of size on the surface energy of noble metal nanoparticles from analytical and numerical approaches},

author = {Hakim Amara and Jaysen Nelayah and J\'{e}r\^{o}me Creuze and Adrian Chmielewski and Damien Alloyeau and Christian Ricolleau and Bernard Legrand},

url = {https://link.aps.org/doi/10.1103/PhysRevB.105.165403},

doi = {10.1103/PhysRevB.105.165403},

year  = {2022},

date = {2022-04-01},

urldate = {2022-04-01},

journal = {Phys. Rev. B},

volume = {105},

issue = {16},

pages = {165403},

publisher = {American Physical Society},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{PhysRevB.105.144101,

title = {Simulation of thermodynamic properties of magnetic transition metals from an efficient tight-binding model: The case of cobalt and beyond},

author = {Alexis Front and Georg Daniel F\"{o}rster and Van-Truong Tran and Chu-Chun Fu and Cyrille Barreteau and Fran\c{c}ois Ducastelle and Hakim Amara},

url = {https://link.aps.org/doi/10.1103/PhysRevB.105.144101},

doi = {10.1103/PhysRevB.105.144101},

year  = {2022},

date = {2022-04-01},

urldate = {2022-04-01},

journal = {Phys. Rev. B},

volume = {105},

issue = {14},

pages = {144101},

publisher = {American Physical Society},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{ElMeligy_2022,

title = {Isothermal Oxidation of Ti3Al0.6Ga0.4C2 MAX Phase Solid Solution in Air at 1000 °C to 1300 °C},

author = {Tarek A. ElMeligy and Enrica Epifano and Maxim Sokol and Gilles Hug and Marcus Hans and Jochen M. Schneider and Michel W. Barsoum},

url = {https://doi.org/10.1149/1945-7111/ac58c1},

doi = {10.1149/1945-7111/ac58c1},

year  = {2022},

date = {2022-03-01},

urldate = {2022-03-01},

journal = {Journal of The Electrochemical Society},

volume = {169},

number = {3},

pages = {031510},

publisher = {The Electrochemical Society},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{EPIFANO2022413370,

title = {Insertion and diffusion of N and C in γ\textendashTiAl: Theoretical study and comparison with O},

author = {E. Epifano and G. Hug and D. Conn\'{e}table},

url = {https://www.sciencedirect.com/science/article/pii/S0921452621005378},

doi = {https://doi.org/10.1016/j.physb.2021.413370},

issn = {0921-4526},

year  = {2022},

date = {2022-01-01},

journal = {Physica B: Condensed Matter},

volume = {624},

pages = {413370},

abstract = {Nitrogen and carbon play an important role in the oxidation of Ti-Al intermetallic alloys in air. The insertion and diffusion of these elements in the γ-TiAl phase are investigated by first-principle computations. The accommodation of C and N atoms in several likely interstitial positions has been evaluated using density functional theory (DFT) calculations. The results show that both carbon and nitrogen prefer Ti-rich environments. Then, considering the possible jumps among the stable and metastable interstitial sites, the diffusion coefficients have also been obtained from ab initio calculations. According to the Transitional State Theory, in order to compute atomic jump rates, diffusion energy barriers and vibrational modes need to be known. Herein, barrier energies are obtained using the Climbing Image Nudged Elastic Band method. Vibrational properties are computed using the finite displacement method. Finally, diffusion coefficients are obtained solving the transport equation in the infinite time limit, using an analytical approach. The obtained results are compared to the diffusion of oxygen in γ-TiAl, investigated in previous studies. An anisotropic diffusion is obtained for all the interstitial species.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{BARUFFI2022111057,

title = {Atomistic simulation of martensite microstructural evolution during temperature driven β→α transition in pure titanium},

author = {C. Baruffi and A. Finel and Y. Le Bouar and B. Bacroix and O. U. Salman},

url = {https://www.sciencedirect.com/science/article/pii/S0927025621007321},

doi = {https://doi.org/10.1016/j.commatsci.2021.111057},

issn = {0927-0256},

year  = {2022},

date = {2022-01-01},

journal = {Computational Materials Science},

volume = {203},

pages = {111057},

abstract = {Titanium and its alloys undergo temperature-driven martensitic phase transformation leading to the development of complex microstructures at mesoscale. Optimizing the mechanical properties of these materials requires an understanding of the correlations between the processing parameters and the mechanisms involved in the microstructure formation and evolution. In this work, we study the temperature-induced phase transition from BCC to HCP in pure titanium by atomistic modeling and investigate the influence of local stress conditions on the final martensite morphology. We simulate the transition under different stress conditions and carry a detailed analysis of the microstructural evolution during transition using a deformation gradient map that characterizes the local lattice distortion. The analysis of final martensite morphologies shows how mechanical constraints influence the number of selected variants and the number/type of defects in the final microstructure. We give insight on the origin and structure of different interfaces experimentally observed, such as inter-variant boundaries and antiphase defects. In particular, we show how antiphase defects originate from the two-fold degeneracy shuffling displacement arriving during the transition and how the triple junction formation drives the texture evolution when local stresses prevent a free shape change of the matrix surrounding the growing martensite nuclei.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{JAWALE2022523,

title = {Carbon nanotube-polyoxometalate nanohybrids as efficient electro-catalysts for the hydrogen evolution reaction},

author = {Dhanaji V. Jawale and Fr\'{e}d\'{e}ric Fossard and Fr\'{e}d\'{e}ric Miserque and Val\'{e}rie Geertsen and Anne-Lucie Teillout and Pedro Oliveira and Isra\"{e}l M. Mbomekall\'{e} and Edmond Gravel and Eric Doris},

url = {https://www.sciencedirect.com/science/article/pii/S0008622321011246},

doi = {https://doi.org/10.1016/j.carbon.2021.11.046},

issn = {0008-6223},

year  = {2022},

date = {2022-01-01},

journal = {Carbon},

volume = {188},

pages = {523-532},

abstract = {Electroactive hybrid nanomaterials were assembled by non-covalent, layer-by-layer deposition of tungsten-based polyoxometalates on carbon nanotubes. Chemical functionalization permitted access to nanotubes densely and homogeneously covered with polyoxometalates. Electrochemical characterisation of the nanohybrids highlighted the beneficial contribution of the nanotube platform to the overall stability of the immobilized POM species, and to the enhancement of their catalytic performances when applied to the hydrogen evolution reaction.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{JIANG2022103181,

title = {Grain size effect of FCC polycrystal: A new CPFEM approach based on surface geometrically necessary dislocations},

author = {Maoyuan Jiang and Zhengxuan Fan and Serge Kruch and Benoit Devincre},

url = {https://www.sciencedirect.com/science/article/pii/S0749641921002473},

doi = {https://doi.org/10.1016/j.ijplas.2021.103181},

issn = {0749-6419},

year  = {2022},

date = {2022-01-01},

journal = {International Journal of Plasticity},

volume = {150},

pages = {103181},

abstract = {A multiscale modeling methodology involving discrete dislocation dynamics (DDD) and crystal plasticity finite element method (CPFEM) was used to study the grain size effect in FCC polycrystalline plasticity. The developed model is based on the dislocation density storage-recovery framework and is expanded to the scale of slip systems. DDD simulations were used to establish a constitutive law incorporating the main dislocation mechanisms that are involved in the strain hardening process observed in monotonically deformed FCC polycrystals. This was achieved by calculating the key features controlling the accumulation of the forest dislocation density within the grains and the polarized dislocation density at the grain boundaries during plastic deformation. The model was then integrated with a CPFEM model at the polycrystalline aggregate scale to compute short- and long-range internal stresses within the grains. These simulations quantitatively reproduced the deformation curves of the FCC polycrystals as a function of grain size. Because of its predictive ability to reproduce the Hall\textendashPetch effect in a physically justified approach, the proposed framework has significant potential for further applications.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Front2022,

title = {Trends of chemical ordering in Pt-based nanoalloys},

author = {Alexis Front and Christine Mottet},

url = {https://doi.org/10.1007/s00214-021-02861-7},

doi = {10.1007/s00214-021-02861-7},

issn = {1432-881X},

year  = {2022},

date = {2022-01-01},

journal = {Theoretical Chemistry Accounts},

volume = {141},

number = {1},

pages = {1--6},

publisher = {Springer Berlin Heidelberg},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Kumar2022,

title = {Induced structural modifications in ZnS nanowires via physical state of catalyst: Highlights of 15R crystal phase},

author = {Sumit Kumar and Fr\'{e}d\'{e}ric Fossard and Ga\"{e}lle Amiri and Jean Michel Chauveau and Vincent Sallet},

doi = {10.1007/s12274-021-3487-8},

issn = {19980000},

year  = {2022},

date = {2022-01-01},

journal = {Nano Research},

volume = {15},

number = {1},

pages = {377--385},

abstract = {Peculiar and unique growth mechanisms involved in semiconductor nanowires (NWs) pave the way to the achievement of new crystallographic phases and remarkable material properties, and hence, studying polytypism in semiconductor NWs arouses a strong interest for the next generation of electronic and photonic applications. In this context, the growth of ZnS nanowires has been investigated, as bulk ZnS compound exhibits numerous unstable polytypes at high temperatures, but their stable occurrence is highly anticipated in a nanowire due to its special quasi-dimensional shape and growth modes. In this work, the idea is to provide a change in the growth mechanism via the physical state of catalyst droplet (liquid or solid) and hence, study the induced structural modifications in ZnS nanowires. The HRTEM images of VLS (via liquid alloyed catalyst) grown ZnS NWs show periodic stacking faults, which is precisely identified as a stacking sequence of cubic or hexagonal individual planes leading to an astonishing 15R crystal polymorph. This crystallographic phase is observed for the first time in nanowires. Contrastingly, NWs grown with VSS (via solid catalyst) show crystal polytypes of zinc blende and wurtzite. We calculate and discuss the role of cohesive energies in the formation of such ZnS polytypes. Further, we present the selection rules for the crystallization of such 15R structure in NWs and discuss the involved VLS and VSS growth mechanisms leading to the formation of different crystal phases.[Figure not available: see fulltext.].},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{JIANG2022111328,

title = {Uncovering the existence of anti-backstress associated with dislocations accumulated at grain boundaries during plastic deformation},

author = {Maoyuan Jiang and Benoit Devincre},

url = {https://www.sciencedirect.com/science/article/pii/S092702562200115X},

doi = {https://doi.org/10.1016/j.commatsci.2022.111328},

issn = {0927-0256},

year  = {2022},

date = {2022-01-01},

journal = {Computational Materials Science},

volume = {208},

pages = {111328},

abstract = {The influence of the grain orientation on the long-range internal stress associated with the accumulation of geometrically necessary dislocations (GNDs) during plastic deformation is numerically investigated. GNDs stored at grain boundaries (GBs) do not systematically generate a backstress inside grains. Surprisingly, long-range anti-backstress promoting dislocation dynamics and plastic strain inside grains arises at certain GBs interfaces from the accumulation of GNDs. This discovery on one important elementary mechanism affecting the macroscopic mechanical behavior of polycrystals provides guidelines to improve the physical content of current crystal plasticity models.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{RUFFINI2022111118,

title = {Dislocations interacting with a pore in an elastically anisotropic single crystal nickel-base superalloy during hot isostatic pressing},

author = {A. Ruffini and Y. Le Bouar and A. Finel and A. I. Epishin and B. Fedelich and T. Feldmann and B. Viguier and D. Poquillon},

url = {https://www.sciencedirect.com/science/article/pii/S0927025621007850},

doi = {https://doi.org/10.1016/j.commatsci.2021.111118},

issn = {0927-0256},

year  = {2022},

date = {2022-01-01},

journal = {Computational Materials Science},

volume = {204},

pages = {111118},

abstract = {The formation of pores in CMSX-4 nickel based superalloys is detrimental to the service life of the material. A way to avoid the problem is to treat the superalloys under Hot Isostatic Pressing (HIP), which enables a large volume fraction of pores to be annihilated. This paper aims to understand the contribution of plastic activity related to the gliding of dislocations on the pore annihilation. Simulations based on a phase-field model of dislocation are performed and make it possible to consider the strong anisotropy of the CMSX-4 under HIP conditions in conjunction to the strong elastic heterogeneity introduced by the pore. For pores with a radius of few micrometers, it is shown that edge parts of dislocation lines that present an extra half atomic plane oriented towards the pore are stacked above and under it in the direction which is perpendicular to their slip-planes, causing an increase of the number of dislocation along the four octahedral directions of the FCC single crystal which intersect the pore center. Results are streamlined within the isotropic elastic theory of dislocations. Effects of elastic anisotropy and dislocation reactions are also investigated in order to specify what would be the dislocation configuration around a pore in CMSX-4 under HIP conditions. Notably, the elastic anisotropy is shown to significantly modify the arrangement of dislocations close to the pore equator. Simulations also allow for the characterization of pore/dislocation interactions when dislocations are involved in Low Angle Boundaries as experimentally observed.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{D1GC04081B,

title = {Catalytic hydrothiolation of alkenes and alkynes using bimetallic RuRh nanoparticles on carbon nanotubes},

author = {Dhanaji V. Jawale and Jo\"{e}l Armel Tchuiteng Kouatchou and Fr\'{e}d\'{e}ric Fossard and Fr\'{e}d\'{e}ric Miserque and Val\'{e}rie Geertsen and Edmond Gravel and Eric Doris},

url = {http://dx.doi.org/10.1039/D1GC04081B},

doi = {10.1039/D1GC04081B},

year  = {2022},

date = {2022-01-01},

journal = {Green Chem.},

volume = {24},

issue = {3},

pages = {1231-1237},

publisher = {The Royal Society of Chemistry},

abstract = {A heterogeneous nanohybrid catalyst was assembled by immobilization of bimetallic ruthenium\textendashrhodium nanoparticles on carbon nanotubes. The hybrid material was characterized using various techniques evidencing dense coating of the tubes with monodisperse particles. The catalyst was applied to the hydrothiolation of alkenes and alkynes and behaved in a superior manner, compared to the monometallic counterparts. The system proved to be efficient under mild and sustainable conditions (low catalyst loading, room temperature, air atmosphere and green solvent) and could be recycled and reused with no loss of activity.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{refId0,

title = {Modelling the statics and the dynamics of fluctuations in the ordering alloy AuAgZn2},

author = {Fr\'{e}d\'{e}ric Livet and Mathieu F`evre and Guillaume Beutier and Fadi Abouhilou and Mark Sutton},

url = {https://doi.org/10.1051/epjap/2022210284},

doi = {10.1051/epjap/2022210284},

year  = {2022},

date = {2022-01-01},

journal = {Eur. Phys. J. Appl. Phys.},

volume = {97},

pages = {25},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{D2NR02478K,

title = {Colloidal synthesis of nanoparticles: from bimetallic to high entropy alloys},

author = {Cora Moreira Da Silva and Hakim Amara and F\'{e}d\'{e}ric Fossard and Armelle Girard and Annick Loiseau and Vincent Huc},

url = {http://dx.doi.org/10.1039/D2NR02478K},

doi = {10.1039/D2NR02478K},

year  = {2022},

date = {2022-01-01},

journal = {Nanoscale},

pages = {-},

publisher = {The Royal Society of Chemistry},

abstract = {At the nanoscale, the synthesis of a random alloy (i.e. without phase segregation, whatever the composition) by chemical synthesis remains a difficult task, even for simple binary type systems. In this context, a unique approach based on the colloidal route is proposed enabling the synthesis of face-centred cubic and monodisperse bimetallic, trimetallic, tetrametallic and pentametallic nanoparticles with diameters around 5 nm as solid solutions. The Fe\textendashCo\textendashNi\textendashPt\textendashRu alloy (and its subsets) is considered a challenging task as each element has fairly different physico-chemical properties. Particles are prepared by temperature-assisted co-reduction of metal acetylacetonate precursors in the presence of surfactants. It is highlighted how the correlation between precursors’ degradation temperatures and reduction potential values of the metal cations is the driving force to achieve a homogeneous distribution of all elements within the nanoparticles.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{D2CC01028C,

title = {Synthesis of highly calibrated CsPbBr3 nanocrystal perovskites by soft chemistry},

author = {C\'{e}dric R. Mayer and Hugo Levy-Falk and Maxime R\'{e}mond and Ga\"{e}lle Tripp\'{e}-Allard and Fr\'{e}d\'{e}ric Fossard and Maxime Vallet and Marc Lepeltier and Nicolas Guiblin and Jean-S\'{e}bastien Lauret and Damien Garrot and Emmanuelle Deleporte},

url = {http://dx.doi.org/10.1039/D2CC01028C},

doi = {10.1039/D2CC01028C},

year  = {2022},

date = {2022-01-01},

journal = {Chem. Commun.},

volume = {58},

issue = {40},

pages = {5960-5963},

publisher = {The Royal Society of Chemistry},

abstract = {A new synthetic method for preparing highly calibrated CsPbBr3 nanocrystal perovskites is described and analyzed using high-resolution scanning transmission electron microscopy. This new method based on soft chemistry leads to the large-scale production of nanocrystals. Such monodisperse nanocrystals allow for the deposition of homogeneous films, which provides new opportunities for the next generation of optoelectronic devices.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Ceolato2022,

title = {Black carbon aerosol number and mass concentration measurements by picosecond short-range elastic backscatter lidar},

author = {Romain Ceolato and Andr\'{e}s E. Bedoya-Vel\'{a}squez and Fr\'{e}d\'{e}ric Fossard and Vincent Mouysset and Lucas Paulien and Sidonie Lefebvre and Claudio Mazzoleni and Christopher Sorensen and Matthew J. Berg and J\'{e}r\^{o}me Yon},

url = {https://doi.org/10.1038/s41598-022-11954-7},

doi = {10.1038/s41598-022-11954-7},

issn = {20452322},

year  = {2022},

date = {2022-01-01},

journal = {Scientific Reports},

volume = {12},

number = {1},

pages = {1--12},

publisher = {Nature Publishing Group UK},

abstract = {Black carbon aerosol emissions are recognized as contributors to global warming and air pollution. There remains, however, a lack of techniques to remotely measure black carbon aerosol particles with high range and time resolution. This article presents a direct and contact-free remote technique to estimate the black carbon aerosol number and mass concentration at a few meters from the emission source. This is done using the Colibri instrument based on a novel technique, referred to here as Picosecond Short-Range Elastic Backscatter Lidar (PSR-EBL). To address the complexity of retrieving lidar products at short measurement ranges, we apply a forward inversion method featuring radiometric lidar calibration. Our method is based on an extension of a well-established light-scattering model, the Rayleigh\textendashDebye\textendashGans for Fractal-Aggregates (RDG-FA) theory, which computes an analytical expression of lidar parameters. These parameters are the backscattering cross-sections and the lidar ratio for black carbon fractal aggregates. Using a small-scale Jet A-1 kerosene pool fire, we demonstrate the ability of the technique to quantify the aerosol number and mass concentration with centimetre range-resolution and millisecond time-resolution.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Barbero2022,

title = {Synthesis and structural properties of high-entropy nanoalloys made by physical and chemical routes},

author = {Andrea Barbero and Cora Moreira Da Silva and Nathaly Ortiz Pena and Nour Kefane and Abdallah Jaafar and Maxence Thorey and Hicham Bouaia and Jaysen Nelayah and Guillaume Wang and Hakim Amara and Christian Ricolleau and Vincent Huc and Damien Alloyeau},

url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85141922246\&doi=10.1039%2fd2fd00118g\&partnerID=40\&md5=6ae13e2a3a917508d6994e5a01bea8a9},

doi = {10.1039/d2fd00118g},

year  = {2022},

date = {2022-01-01},

journal = {Faraday Discussions},

volume = {375},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Front2022b,

title = {Melting properties of AgxPt1−x nanoparticles},

author = {Alexis Front and Djahid Oucheriah and Christine Mottet and Hakim Amara},

url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85140452744\&doi=10.1039%2fd2fd00116k\&partnerID=40\&md5=e523159a781934960ada847cb262af28},

doi = {10.1039/d2fd00116k},

year  = {2022},

date = {2022-01-01},

journal = {Faraday Discussions},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Kumar2022b,

title = {MOCVD Growth and Structural Properties of ZnS Nanowires: A Case Study of Polytypism},

author = {Sumit Kumar and Fr\'{e}d\'{e}ric Fossard and Gaelle Amiri and Jean-Michel Chauveau and Vincent Sallet},

url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85137359753\&doi=10.3390%2fnano12142323\&partnerID=40\&md5=1dc6681869cbcaacb5e3fe628ce143d1},

doi = {10.3390/nano12142323},

year  = {2022},

date = {2022-01-01},

journal = {Nanomaterials},

volume = {12},

number = {14},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Jawale20224983,

title = {Bimetallic ruthenium-rhodium particles supported on carbon nanotubes for the hydrophosphinylation of alkenes and alkynes},

author = {Dhanaji V. Jawale and Fr\'{e}d\'{e}ric Fossard and Fr\'{e}d\'{e}ric Miserque and Val\'{e}rie Geertsen and Eric Doris and Edmond Gravel},

url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85135044309\&doi=10.1039%2fd2cy00857b\&partnerID=40\&md5=f923364a6b8596dc45a122f2f870ec58},

doi = {10.1039/d2cy00857b},

year  = {2022},

date = {2022-01-01},

journal = {Catalysis Science and Technology},

volume = {12},

number = {16},

pages = {4983 \textendash 4987},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Roux2022,

title = {Cathodoluminescence monitoring of quantum emitter activation in hexagonal boron nitride},

author = {S\'{e}bastien Roux and Clarisse Fournier and Kenji Watanabe and Takashi Taniguchi and Jean-Pierre Hermier and Julien Barjon and Aymeric Delteil},

url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85143252061\&doi=10.1063%2f5.0126357\&partnerID=40\&md5=02d4d0cdfe4b95b86dba8075560284ce},

doi = {10.1063/5.0126357},

year  = {2022},

date = {2022-01-01},

journal = {Applied Physics Letters},

volume = {121},

number = {18},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{PhysRevB.104.L161203,

title = {Radiative lifetime of free excitons in hexagonal boron nitride},

author = {S\'{e}bastien Roux and Christophe Arnold and Fulvio Paleari and Lorenzo Sponza and Eli Janzen and James H. Edgar and B\'{e}rang`ere Toury and Catherine Journet and Vincent Garnier and Philippe Steyer and Takashi Taniguchi and Kenji Watanabe and Franifmmode mbox\c{c}else \c{c}fiois Ducastelle and Annick Loiseau and Julien Barjon},

url = {https://link.aps.org/doi/10.1103/PhysRevB.104.L161203},

doi = {10.1103/PhysRevB.104.L161203},

year  = {2021},

date = {2021-10-01},

journal = {Phys. Rev. B},

volume = {104},

pages = {L161203},

publisher = {American Physical Society},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Piniard:21,

title = {Theoretical analysis of surface-shape-induced decorrelation noise in multi-wavelength digital holography},

author = {M Piniard and B Sorrente and G Hug and P Picart},

url = {http://www.opticsexpress.org/abstract.cfm?URI=oe-29-10-14720},

doi = {10.1364/OE.423391},

year  = {2021},

date = {2021-05-01},

journal = {Opt. Express},

volume = {29},

number = {10},

pages = {14720--14735},

publisher = {OSA},

abstract = {This paper presents analytical modelling for describing the speckle noise decorrelation in phase data from two- or multiple-wavelength digital holography. A novel expression for the modulus of the coherence factor is proposed for the case of two-wavelength speckle decorrelation from imaging roughness and surface shape through an optical system. The expression permits us to estimate the speckle decorrelation phase noise in surface shape measurements. The theoretical analysis is supported by realistic simulations including both the surface roughness and shape. The results demonstrate the very good agreement between the modulus of the coherence factor estimated with the simulation and the one calculated with theory.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{,

title = {A molecular dynamics-informed probabilistic cross-slip model in discrete dislocation dynamics},

author = {A Malka-Markovitz and B Devincre and D Mordehai},

url = {https://www.sciencedirect.com/science/article/pii/S1359646220305340?via%3Dihub},

year  = {2021},

date = {2021-01-01},

journal = {Scripta Materialia},

volume = {190},

pages = {7-11},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Castan2021968,

title = {Comparing transmission electron microscopy and Raman spectral imaging for the characterization of single-walled carbon nanotube diameter distributions},

author = {A Castan and S Forel and F Fossard and J Defillet and A Ghedjatti and D Levshov and W Wenseleers and S Cambr\'{e} and A Loiseau},

url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85092708452\&doi=10.1016%2fj.carbon.2020.09.012\&partnerID=40\&md5=9e458b597aa46699e5af75f897dfdb74},

doi = {10.1016/j.carbon.2020.09.012},

year  = {2021},

date = {2021-01-01},

journal = {Carbon},

volume = {171},

pages = {968-979},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{COTTURA2021116851,

title = {Microstructure evolution under [110] creep in Ni-base superalloys},

author = {M Cottura and B Appolaire and A Finel and Y Le Bouar},

url = {https://www.sciencedirect.com/science/article/pii/S1359645421002317},

doi = {https://doi.org/10.1016/j.actamat.2021.116851},

issn = {1359-6454},

year  = {2021},

date = {2021-01-01},

journal = {Acta Materialia},

volume = {212},

pages = {116851},

abstract = {Microstructure evolutions in Ni-base superalloys are investigated during [110] creep loading using 3D and 2D phase field simulations. A recently developed phase field model coupled to a crystal plasticity model based on dislocation densities is employed. The model uses a storage-recovery law for the dislocation density of each glide system and a hardening matrix to account for the short-range interactions between dislocations. We show that small misorientations of the tensile axis strongly modify the evolution: rafting is observed for small deviations, as opposed to a microstructure made of rod-like precipitates when loading is performed along a perfectly aligned [110] direction. Depending on the precise direction of the mechanical load, different evolutions are obtained accompanied by strong modification of the macroscopic creep behavior, explaining the variety of results observed experimentally. The relative role of inhomogeneous and anisotropic elastic and plastic driving forces is also investigated, plasticity being the main driving force for rafting in the considered case. In addition, our calculations show that the initial dislocation density slightly modifies the precipitates morphology but the creep curve is significantly impacted.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Jiang2021,

title = {On the origin of the Hall\textendashPetch law: A 3D-dislocation dynamics simulation investigation},

author = {M Jiang and G Monnet and B Devincre},

url = {https://doi.org/10.1016/j.actamat.2021.116783},

doi = {10.1016/j.actamat.2021.116783},

year  = {2021},

date = {2021-01-01},

journal = {Acta Materialia},

volume = {209},

note = {cited By 0},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{D0TA12174F,

title = {Size-dependent hydrogen trapping in palladium nanoparticles},

author = {W Liu and Y Magnin and D F\"{o}rster and J Bourgon and T Len and F Morfin and L Piccolo and H Amara and C Zlotea},

url = {http://dx.doi.org/10.1039/D0TA12174F},

doi = {10.1039/D0TA12174F},

year  = {2021},

date = {2021-01-01},

journal = {J. Mater. Chem. A},

volume = {9},

pages = {10354-10363},

publisher = {The Royal Society of Chemistry},

abstract = {We report an experimental study, supported by a theoretical approach based on simulations, to explore the phenomenon of H trapping in small Pd nanoparticles. Hydrogen absorption/desorption of a series of Pd nanoparticles with different average sizes (6.0, 2.0 and 1.4 nm) is only partially reversible, as proven by pressure-composition-isotherms at 25 °C. The irreversible H amount is trapped into strong interstitial sites. In situ EXAFS was employed to highlight the local structural changes and the H trapping inside the volume of Pd nanoparticles. We evidence a double size-dependent effect of H trapping inside Pd nanoparticles: the smaller the Pd particle size, the larger the amount of trapped H and the higher the binding energy experienced by H atoms. For example, 26% of the initial H capacity is trapped in Pd nanoparticles with 2.0 and 1.4 nm average sizes and a treatment under vacuum above 150 °C is needed to fully desorb the trapped H. To get atomic-scale insights into the location of the trapping sites, we perform both density functional theory and tight-binding calculations. These simulations show that the strong H trapping sites are the octahedral interstitials located at the subsurface of Pd nanoparticles where high relaxations are possible. This finding might clarify the controversial role of “subsurface or bulk” hydrogen in Pd-based nano-catalysts in several hydrogenation reactions.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Carr__2021,

title = {Excitons in bulk black phosphorus evidenced by photoluminescence at low temperature},

author = {Carr E \'{e} and L Sponza and A Lusson and I Stenger and Gaufr E \`{e} and A Loiseau and J Barjon},

url = {https://doi.org/10.1088/2053-1583/abca81},

doi = {10.1088/2053-1583/abca81},

year  = {2021},

date = {2021-01-01},

journal = {2D Materials},

volume = {8},

number = {2},

pages = {021001},

publisher = {IOP Publishing},

abstract = {Atomic layers of black phosphorus (BP) present unique opto-electronic properties dominated by a direct tunable bandgap in a wide spectral range from visible to mid-infrared (IR). In this work, we investigate the IR photoluminescence (PL) of BP single crystals at very low temperature. Near-band-edge recombinations are observed at 2 K, including dominant excitonic transitions at 0.276 eV and a weaker one at 0.278 eV. The free-exciton binding energy is calculated with an anisotropic Wannier\textendashMott model and found equal to 9.1 meV. On the contrary, the PL intensity quenching of the 0.276 eV peak at high temperature is found with a much smaller activation energy, attributed to the localization of free excitons on a shallow impurity. This analysis leads us to attribute respectively the 0.276 eV and 0.278 eV PL lines to bound excitons and free excitons in BP. As a result, the value of bulk BP bandgap is refined to 0.287 eV at 2 K.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{PAULIEN2021107451,

title = {(UV, VIS) Laboratory evaluation of the lidar depolarization ratio of freshly emitted soot aggregates from pool fire in ambient air at exact backscattering angle},

author = {L Paulien and R Ceolato and F Fossard and P Rairoux and A Miffre},

url = {https://www.sciencedirect.com/science/article/pii/S0022407320309791},

doi = {https://doi.org/10.1016/j.jqsrt.2020.107451},

issn = {0022-4073},

year  = {2021},

date = {2021-01-01},

journal = {Journal of Quantitative Spectroscopy and Radiative Transfer},

volume = {260},

pages = {107451},

abstract = {In this paper, a controlled-laboratory experiment is carried out to evaluate the lidar depolarization ratio of freshly emitted soot aggregates in the exact backward scattering direction at 180.0°. The experiment is performed at two wavelengths simultaneously, namely 355 and 532 nm, often used in polarimetric lidar remote sensing. The soot aggregates are generated from a kerosene JET A-1 pool fire in laboratory ambient air and microscopic images confirm the fractal morphology of generated soot aggregates. Then, the Superposition T-Matrix (STM) method is applied to numerically simulate the soot aggregates backscattering properties for different soot particles refractive indices, monomer radii and monomer numbers. The range of these parameters which ensures the lowest discrepancy between the laboratory measurement and the STM-computations is discussed within experimental and numerical error bars. We find that the polydisperse monomers model gives an overall better evaluation of the ratio F22(π)/F11(π). In the polydisperse case, our numerical and laboratory experimental findings agree at both wavelengths for a refractive index m = 2.65 + i1.32 and monomer number Nm \> 40 at a mean monomer radius of rp = 30 nm (Nm \> 160 at rp = 27.5 nm). We believe this work may be useful for the light scattering and remote sensing communities and may also help future studies aimed at better understanding the impact of soot particle aggregates on the Earth's climate, which still needs to be precisely quantified.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Kumar2021,

title = {Induced structural modifications in ZnS nanowires via physical state of catalyst: Highlights of 15R crystal phase},

author = {S Kumar and F Fossard and G Amiri and J -M Chauveau and V Sallet},

doi = {10.1007/s12274-021-3487-8},

issn = {19980000},

year  = {2021},

date = {2021-01-01},

journal = {Nano Research},

volume = {12},

number = {1},

abstract = {Peculiar and unique growth mechanisms involved in semiconductor nanowires (NWs) pave the way to the achievement of new crystallographic phases and remarkable material properties, and hence, studying polytypism in semiconductor NWs arouses a strong interest for the next generation of electronic and photonic applications. In this context, the growth of ZnS nanowires has been investigated, as bulk ZnS compound exhibits numerous unstable polytypes at high temperatures, but their stable occurrence is highly anticipated in a nanowire due to its special quasi-dimensional shape and growth modes. In this work, the idea is to provide a change in the growth mechanism via the physical state of catalyst droplet (liquid or solid) and hence, study the induced structural modifications in ZnS nanowires. The HRTEM images of VLS (via liquid alloyed catalyst) grown ZnS NWs show periodic stacking faults, which is precisely identified as a stacking sequence of cubic or hexagonal individual planes leading to an astonishing 15R crystal polymorph. This crystallographic phase is observed for the first time in nanowires. Contrastingly, NWs grown with VSS (via solid catalyst) show crystal polytypes of zinc blende and wurtzite. We calculate and discuss the role of cohesive energies in the formation of such ZnS polytypes. Further, we present the selection rules for the crystallization of such 15R structure in NWs and discuss the involved VLS and VSS growth mechanisms leading to the formation of different crystal phases.[Figure not available: see fulltext.]},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Lebbad2021,

title = {Insights into the selection mechanism of Widmanst\"{a}tten growth by phase-field calculations},

author = {H. Lebbad and B. Appolaire and Y. Le Bouar and A. Finel},

url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85111572646\&doi=10.1016%2fj.actamat.2021.117148\&partnerID=40\&md5=0d7a18f9d4b75e245155e7a00dd5515b},

doi = {10.1016/j.actamat.2021.117148},

year  = {2021},

date = {2021-01-01},

journal = {Acta Materialia},

volume = {217},

note = {cited By 0},

keywords = {},

pubstate = {published},

tppubtype = {article}

}