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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 (thermoelectrics, batteries, hydrogen).

Selected Publications in 2018

Soft Phonon Modes from Off-center Ge atoms Lead to Ultralow Thermal Conductivity and Superior Thermoelectric Performance in n-type PbSe-GeSe
Z Luo, S Hao, X Zhang, X Hua, S Cai, G Tan, T Bailey, R Ma, C Uher,
C Wolverton, V Dravid, Q Yan, M Kanatzidis, Energy & Environmental ScienceDOI: 10.1039/C8EE01755G (2018)

Absence of Nanostructuring in NaPbmSbTem+2: Solid Solutions with High Thermoelectric Performance in the Intermediate Temperature Regime
TJ Slade, JA Grovogui, S Hao, TP Bailey, R Ma, X Hua, A Guéguen, C Uher, C Wolverton, V P Dravid, M G Kanatzidis, Journal of the American Chemical Society, 140, 7021 (2108)

Weak Electron Phonon Coupling and Deep Level Impurity for High Thermoelectric Performance Pb1−xGaxTe
X Su, S Hao, TP Bailey, S Wang, I Hadar, G Tan, TB Song, Q Zhang, C Uher, C Wolverton, V P Dravid, X Tang, M G Kanatzidis, Advanced Energy Materials, 1800659, (2018)

High Thermoelectric Performance in SnTe–AgSbTe2 Alloys from Lattice Softening, Giant Phonon–Vacancy Scattering, and Valence Band Convergence
G Tan, S Hao, RC Hanus, X Zhang, S Anand, TP Bailey, AJE Rettie, X Su, C Uher,  V P Dravid, J Snyder, C Wolverton, M G Kanatzidis, ACS Energy Letters 3, 705 (2018)

Quaternary Pavonites A1+xSn2–xBi5+xS10 (A+ = Li+, Na+): Site Occupancy Disorder Defines Electronic Structure
JF Khoury, S Hao, CC Stoumpos, Z Yao, CD Malliakas, U Aydemir, T J Slade, G J Snyder, C Wolverton, M G Kanatzidis, Inorganic chemistry 57, 2260 (2018)

High thermoelectric performance in Bi 0.46 Sb 1.54 Te 3 nanostructured with ZnTe
R Deng, X Su, S Hao, Z Zheng, M Zhang, H Xie, W Liu, Y Yan, C Wolverton, C Uher, M G Kanatzidis, X Tang, Energy & Environmental Science, 11, 1520 (2018)

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