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Guodong Li
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Convergence of multi-valley bands as the electronic origin of high thermoelectric performance in CoSb3 skutterudites
Y Tang, ZM Gibbs, LA Agapito, G Li, HS Kim, MB Nardelli, S Curtarolo, ...
Nature materials 14 (12), 1223-1228, 2015
6812015
Effective mass and Fermi surface complexity factor from ab initio band structure calculations
ZM Gibbs, F Ricci, G Li, H Zhu, K Persson, G Ceder, G Hautier, A Jain, ...
npj Computational Materials 3 (1), 1-7, 2017
1802017
Effective mass and Fermi surface complexity factor from ab initio band structure calculations. npj Comput
ZM Gibbs, F Ricci, G Li, H Zhu, K Persson, G Ceder, G Hautier, A Jain, ...
Mater 3 (8), 2017
1802017
Computational and experimental investigation of TmAgTe2 and XYZ2 compounds, a new group of thermoelectric materials identified by first-principles high-throughput screening
H Zhu, G Hautier, U Aydemir, ZM Gibbs, G Li, S Bajaj, JH Pöhls, ...
Journal of Materials Chemistry C 3 (40), 10554-10565, 2015
1242015
Computational and experimental investigation of TmAgTe 2 and XYZ 2 compounds, a new group of thermoelectric materials identified by first-principles high-throughput screening
H Zhu, G Hautier, U Aydemir, ZM Gibbs, G Li, S Bajaj, JH Pöhls, ...
Journal of Materials Chemistry C 3 (40), 10554-10565, 2015
1232015
Brittle Failure Mechanism in Thermoelectric Skutterudite CoSb3
G Li, Q An, W Li, WA Goddard III, P Zhai, Q Zhang, GJ Snyder
Chemistry of Materials 27 (18), 6329-6336, 2015
702015
A Chemical Understanding of the Band Convergence in Thermoelectric CoSb3 Skutterudites: Influence of Electron Population, Local Thermal Expansion, and …
R Hanus, X Guo, Y Tang, G Li, GJ Snyder, WG Zeier
Chemistry of Materials 29 (3), 1156-1164, 2017
642017
Molecular Dynamics Simulation of the Mechanical Properties of Single-Crystal Bulk Mg2Si
R Yu, P Zhai, G Li, L Liu
Journal of electronic materials 41 (6), 1465-1469, 2012
642012
Superstrengthening through Nanotwinning
G Li, U Aydemir, SI Morozov, M Wood, Q An, P Zhai, Q Zhang, ...
Physical Review Letters 119 (8), 085501, 2017
632017
Ideal Strength and Deformation Mechanism in High-Efficiency Thermoelectric SnSe
G Li, U Aydemir, M Wood, WA Goddard III, P Zhai, Q Zhang, GJ Snyder
Chemistry of Materials 29 (5), 2382-2389, 2017
612017
YCuTe 2: a member of a new class of thermoelectric materials with CuTe 4-based layered structure
U Aydemir, JH Pöhls, H Zhu, G Hautier, S Bajaj, ZM Gibbs, W Chen, G Li, ...
Journal of Materials Chemistry A 4 (7), 2461-2472, 2016
602016
Ductile deformation mechanism in semiconductor α-Ag 2 S
G Li, Q An, SI Morozov, B Duan, WA Goddard, Q Zhang, P Zhai, ...
npj Computational Materials 4 (1), 44, 2018
592018
Enhanced ideal strength of thermoelectric half-Heusler TiNiSn by sub-structure engineering
G Li, Q An, U Aydemir, WA Goddard III, M Wood, P Zhai, Q Zhang, ...
Journal of Materials Chemistry A 4 (38), 14625-14636, 2016
572016
Metal phosphides as potential thermoelectric materials
JH Pöhls, A Faghaninia, G Petretto, U Aydemir, F Ricci, G Li, M Wood, ...
Journal of Materials Chemistry C 5 (47), 12441-12456, 2017
552017
Enhanced Strength Through Nanotwinning in the Thermoelectric Semiconductor InSb
G Li, SI Morozov, Q Zhang, Q An, P Zhai, GJ Snyder
Physical Review Letters 119 (21), 215503, 2017
542017
Micro-and Macromechanical Properties of Thermoelectric Lead Chalcogenides
G Li, U Aydemir, B Duan, MT Agne, H Wang, M Wood, Q Zhang, P Zhai, ...
ACS applied materials & interfaces 9 (46), 40488-40496, 2017
442017
Deformation mechanisms in high-efficiency thermoelectric layered Zintl compounds
G Li, U Aydemir, M Wood, Q An, WA Goddard III, P Zhai, Q Zhang, ...
Journal of Materials Chemistry A 5 (19), 9050-9059, 2017
372017
Dramatically reduced lattice thermal conductivity of Mg2Si thermoelectric material from nanotwinning
G Li, J He, Q An, SI Morozov, S Hao, P Zhai, Q Zhang, WA Goddard III, ...
Acta Materialia 169, 9-14, 2019
322019
p-type Co interstitial defects in thermoelectric skutterudite CoSb3 due to the breakage of Sb4-rings
G Li, S Bajaj, U Aydemir, S Hao, H Xiao, WA Goddard III, P Zhai, Q Zhang, ...
Chemistry of Materials 28 (7), 2172-2179, 2016
322016
Atomistic explanation of brittle failure of thermoelectric skutterudite CoSb3
G Li, Q An, WA Goddard III, R Hanus, P Zhai, Q Zhang, GJ Snyder
Acta Materialia 103, 775-780, 2016
312016
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Articles 1–20