Anderson Chaves
Anderson Chaves
Verified email at g.harvard.edu
Title
Cited by
Cited by
Year
The Role of Charge States in the Atomic Structure of Cun and Ptn (n = 2–14 atoms) Clusters: A DFT Investigation
AS Chaves, GG Rondina, MJ Piotrowski, P Tereshchuk, JLF Da Silva
The Journal of Physical Chemistry A 118 (45), 10813-10821, 2014
782014
Evolution of the structural, energetic, and electronic properties of the 3d, 4d, and 5d transition-metal clusters (30 TM n systems for n= 2–15): a density functional theory …
AS Chaves, MJ Piotrowski, JLF Da Silva
Physical Chemistry Chemical Physics 19 (23), 15484-15502, 2017
732017
Theoretical study of the structural, energetic, and electronic properties of 55-atom metal nanoclusters: A DFT investigation within van der Waals corrections, spin–orbit …
MJ Piotrowski, CG Ungureanu, P Tereshchuk, KEA Batista, AS Chaves, ...
The Journal of Physical Chemistry C 120 (50), 28844-28856, 2016
622016
Structure, Electronic, and Magnetic Properties of Binary PtnTM55–n (TM = Fe, Co, Ni, Cu, Zn) Nanoclusters: A Density Functional Theory Investigation
D Guedes-Sobrinho, RK Nomiyama, AS Chaves, MJ Piotrowski, ...
The Journal of Physical Chemistry C 119 (27), 15669-15679, 2015
552015
Glycerol adsorption on platinum surfaces: a density functional theory investigation with van der Waals corrections
P Tereshchuk, AS Chaves, JLF Da Silva
The Journal of Physical Chemistry C 118 (28), 15251-15259, 2014
392014
Structural formation of binary PtCu clusters: A density functional theory investigation
AS Chaves, GG Rondina, MJ Piotrowski, JLF Da Silva
Computational Materials Science 98, 278-286, 2015
352015
Ethanol and water adsorption on transition-metal 13-atom clusters: A density functional theory investigation within van der Waals corrections
L Zibordi-Besse, P Tereshchuk, AS Chaves, JLF Da Silva
The Journal of Physical Chemistry A 120 (24), 4231-4240, 2016
312016
Theoretical investigation of the adsorption properties of CO, NO, and OH on monometallic and bimetallic 13-atom clusters: the example of Cu13, Pt7Cu6, and Pt13
AS Chaves, MJ Piotrowski, D Guedes-Sobrinho, JLF Da Silva
The Journal of Physical Chemistry A 119 (47), 11565-11573, 2015
232015
Ultralow and anisotropic thermal conductivity in semiconductor As 2 Se 3
RL González-Romero, A Antonelli, AS Chaves, JJ Meléndez
Physical Chemistry Chemical Physics 20 (3), 1809-1816, 2018
132018
A theoretical investigation of the structural and electronic properties of 55-atom nanoclusters: The examples of Y–Tc and Pt
KEA Batista, MJ Piotrowski, AS Chaves, JLF Da Silva
The Journal of chemical physics 144 (5), 054310, 2016
122016
Ab Initio Investigation of the Role of CO Adsorption on the Physical Properties of 55-Atom PtCo Nanoalloys
D Guedes-Sobrinho, RLH Freire, AS Chaves, JLF Da Silva
The Journal of Physical Chemistry C 121 (49), 27721-27732, 2017
102017
Density functional investigation of the adsorption effects of PH3 and SH2 on the structure stability of the Au55 and Pt55 nanoclusters
D Guedes-Sobrinho, AS Chaves, MJ Piotrowski, JLF Da Silva
The Journal of chemical physics 146 (16), 164304, 2017
72017
Novos resultados teóricos e experimentais para a técnica Z-scan
AS Chaves
Universidade de São Paulo, 2010
52010
Boosting the efficiency of ab initio electron-phonon coupling calculations through dual interpolation
AS Chaves, A Antonelli, DT Larson, E Kaxiras
Physical Review B 102, 125116, 2020
42020
Boosting the efficiency of ab initio electron-phonon coupling calculations through dual interpolation
AS Chaves, A Antonelli, DT Larson, E Kaxiras
arXiv:2006.16954, 2020
42020
Investigating charge carrier scattering processes in anisotropic semiconductors through first-principles calculations: The case of p-type SnSe
AS Chaves, RL González-Romero, JJ Meléndez, A Antonelli
Physical Chemistry Chemical Physics 23 (2), 900-913, 2021
32021
Estudo teórico das propriedades estruturais, eletrônicas e reatividade de clusters de metais de transição
AS Chaves
Universidade de São Paulo, 2015
12015
Microscopic origin of the high thermoelectric figure of merit of -doped SnSe
AS Chaves, DT Larson, E Kaxiras, A Antonelli
Physical Review B 104 (11), 115204, 2021
2021
Microscopic origin of the excellent thermoelectric performance in n-doped SnSe
AS Chaves, DT Larson, E Kaxiras, A Antonelli
arXiv:2107.02957, 2021
2021
Thermoelectric transport properties with non-parabolicity, degeneracy and multiplicity of band edges: The case of anisotropic p-type SnSe
A Chaves, J Melendez, R Gonzalez-Romero, A Antonelli
APS March Meeting Abstracts 2019, R47. 013, 2019
2019
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Articles 1–20