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 | 758 | 2015 |
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 | 207 | 2017 |
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 | 207 | 2017 |
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 | 129 | 2015 |
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 | 128 | 2015 |
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 | 75 | 2018 |
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 | 75 | 2015 |
Superstrengthening through Nanotwinning G Li, U Aydemir, SI Morozov, M Wood, Q An, P Zhai, Q Zhang, ... Physical Review Letters 119 (8), 085501, 2017 | 72 | 2017 |
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 | 68 | 2017 |
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 | 66 | 2017 |
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 | 66 | 2012 |
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 | 64 | 2017 |
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 | 63 | 2016 |
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 | 63 | 2016 |
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 | 59 | 2017 |
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 | 48 | 2017 |
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 | 42 | 2017 |
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 | 40 | 2019 |
Mechanical properties in thermoelectric oxides: Ideal strength, deformation mechanism, and fracture toughness G Li, U Aydemir, SI Morozov, SA Miller, Q An, WA Goddard III, P Zhai, ... Acta Materialia 149, 341-349, 2018 | 34 | 2018 |
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 | 33 | 2016 |