Zobrazeno 1 - 10
of 18
pro vyhledávání: '"Bonny Dongre"'
Publikováno v:
ACS Applied Energy Materials. 6:3944-3952
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::2097e05ba956c73e41c2809d188c4bfb
https://doi.org/10.1021/acsaem.3c00110
https://doi.org/10.1021/acsaem.3c00110
Publikováno v:
Physical Review B. 106
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::e12c5dfa6a94d28d6b91d4b0136d8902
https://doi.org/10.1103/physrevb.106.205202
https://doi.org/10.1103/physrevb.106.205202
Publikováno v:
The Journal of Physical Chemistry. C, Nanomaterials and Interfaces
Several ternary “Janus” metal dichalcogenides such as {Mo,Zr,Pt}-SSe have emerged as candidates with significant potential for optoelectronic, piezoelectric, and thermoelectric applications. SnSSe, a natural option to explore as a thermoelectric
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::00f5500e63502ff00a1e8e9083b229a9
https://doi.org/10.1021/acs.jpcc.0c03414
https://doi.org/10.1021/acs.jpcc.0c03414
Autor:
Mauro Fava, Bonny Dongre, Natalio Mingo, Ambroise van Roekeghem, Georg K. H. Madsen, Jesús Carrete
Publikováno v:
Physical Review B: Condensed Matter and Materials Physics (1998-2015)
Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2021, 103, pp.174112. ⟨10.1103/PhysRevB.103.174112⟩
Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2021, 103, pp.174112. ⟨10.1103/PhysRevB.103.174112⟩
The promise posed by half-Heusler compounds as thermoelectric materials depends on their thermal conductivity, which is strongly affected by doping. Here we elucidate the effect of $p$ dopants on the lattice thermal conductivity (${\ensuremath{\kappa
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::cce2b0233cd33a9f3f52d480a7894b5e
https://doi.org/10.1103/physrevb.103.174112
https://doi.org/10.1103/physrevb.103.174112
Publikováno v:
MRS Communications. 8:1119-1123
The thermal conductivities (κ) of bulk and thin-film α-AI2O3 are calculated from first principles using both the local density approximation (LDA) and the generalized gradient approximation (GGA) to exchange and correlation. The room temperature si
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::e3df7711cb7240acf4373d570323b36f
https://doi.org/10.1557/mrc.2018.161
https://doi.org/10.1557/mrc.2018.161
Publikováno v:
Journal of Materials Chemistry C
Boron impurities have recently been shown to induce resonant phonon scattering in 3C-SiC, dramatically lowering its thermal conductivity. The B-doped 3C-SiC is associated with an off-center relaxation of the B atom, inducing a local transition from T
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::935966c94d1b7d077f58d779b73b4a6a
https://doi.org/10.1039/c8tc00820e
https://doi.org/10.1039/c8tc00820e
Publikováno v:
Journal of Applied Physics. 130:054301
An energetic and dynamical stability analysis of five candidate structures—hexagonal, buckled hexagonal, litharge, inverted litharge, and distorted-NaCl—of the SnS monolayer is performed using density functional theory. The most stable is found t
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::4e51ba2dcfc3da6e9f8bc674b9b4547f
https://doi.org/10.1063/5.0058125
https://doi.org/10.1063/5.0058125
Publikováno v:
Nanotechnology. 27(33)
Controlling the p- and n-type doping is a key tool to improve the power-factor of thermoelectric materials. In the present work we provide a detailed understanding of the defect thermochemistry in half-Heusler compounds. We calculate the formation en
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7154a68224ea43babde6a4cf3efe74db
https://pubmed.ncbi.nlm.nih.gov/27389340
https://pubmed.ncbi.nlm.nih.gov/27389340
Publikováno v:
Modelling and Simulation in Materials Science and Engineering
Different molecular dynamics methods like the direct method, the Green-Kubo (GK) method and homogeneous non-equilibrium molecular dynamics (HNEMD) method have been widely used to calculate lattice thermal conductivity ($\kappa_\ell$). While the first
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::dabc7deabe3a1c79dea22d4052047ca8
https://doi.org/10.1088/1361-651x/aa6f57
https://doi.org/10.1088/1361-651x/aa6f57
Publikováno v:
Physical Review Letters
We use ab-initio calculations to predict the thermal conductivity of cubic SiC with different types of defects. An excellent quantitative agreement with previous experimental measurements is found. The results unveil that B$_\mathrm{C}$ substitution
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::311e1117ceabf20884f77f4a28dea20e