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Shiqiang Hao

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Research Interests

My research is centered on computational materials science using first-principles based methods. I am currently interested in a variety of materials problems with a focus on materials for alternative energies and sustainability (batteries, thermoelectrics, hydrogen).

Selected Publications

Ultrahigh power factor and thermoelectric performance in hole-doped single-crystal SnSe,  LD Zhao, G Tan, S Hao, J He, Y Pei, H Chi, H Wang, S Gong, H Xu, V P Dravid, C Uher, G J Snyder, C Wolverton, M G Kanatzidis, Science 351, 141-144 (2016)

Valence Band Modification and High Thermoelectric Performance in SnTe Heavily Alloyed with MnTe, G Tan, F Shi, S Hao, H Chi, TP Bailey, LD Zhao, C Uher, C Wolverton, V P Dravid, M G Kanatzidis,  Journal of the American Chemical Society 137, 11507-11516 (2015)

Codoping in SnTe: Enhancement of Thermoelectric Performance through Synergy of Resonance Levels and Band Convergence, G Tan, F Shi, S Hao, H Chi, LD Zhao, C Uher, C Wolverton, VP Dravid, M G Kanatzidis, Journal of the American Chemical Society 137, 5100-5112 (2015)

Selection of Surface Coatings for High H2 Permeability Group 5 Metal Membranes Using First-Principles Calculations, R Zhu, S Hao, DS Sholl, The Journal of Physical Chemistry C 119, 7848-7855 (2015)

Lithium transport through lithium-ion battery cathode coatings, S Xu, RM Jacobs, HM Nguyen, S Hao, M Mahanthappa, C Wolverton, D Morgan, Journal of Materials Chemistry A 3 (33), 17248-17272 (2015)

A full list of my publications can be found on my Google Scholar profile.