Sheng Ying Yue M.Sc.

Sheng Ying Yue M.Sc.



Advisor / Co. Advisor

Prof. Hu / Dr. Di Napoli

Thesis Title

First Principle Models for Thermal Transport


Thermal Properties of Phonons and Electrons in Materials from ab initio


AICES Graduate School
RWTH Aachen University
Schinkelstr. 2
D-52056 Aachen

Phone: + 49 (0) 176 41 791 707


  • 11/2014 - present Doctoral Student at Aachen Institute for Advanced Study in Computational Engineering Science (AICES), RWTH Aachen
  • 09/2011 - 07/2014 Master of Science, University of Chinese Academy of Sciences (UCAS), Bejing, China
  • 09/2007 - 07/2011 Bachelor of Science, Beihang University (Beijing University of Aeronautics and Astronautics, BUAA), Beijing, China

Publication List

  • Sheng-Ying Yue, Qing-Bo Yan, Zhen-Gang Zhu, Hui-Juan Cui, Qing-Rong Zheng, Gang Su, First-principles study on electronic and magnetic properties of twisted graphene nanoribbon and Möbius strips, Carbon 71(2014) 150-158. (DOI:10.1016/j.carbon.2014.01.023).
  • Xiaoliang Zhang, Han Xie, Ming Hu, Hua Bao, Shengying Yue, Guangzhao Qin, Gang Su, Thermal conductivity of silicene calculated using an optimized Stillinger-Weber potential, Phy.Rev B. 89, 054310 (2014).(DOI: 10.1103/PhysRevB.89.054310).
  • Gangzhao Qin, Qing-Bo Yan, Zhenzhen Qin, Sheng-Ying Yue, Hui-Juan Cui, Qing-Rong Zheng, Gang Su, Hinge-like structure induced unusual properties of black phosphorus and new strategies to improve the thermoelectric performance, Scientific Reports 4,6946(DOI: 10.1038/srep06946).
  • Guangzhao Qin, Qing-Bo Yan, Zhenzhen Qin, Sheng-Ying Yue, M Hu, Gang Su, Anisotropic intrinsic lattice thermal conductivity of phosphorene from first principles, Phys. Chem. Chem. Phys.,(2015).(DOI: 10.1039/C4CP04858J).
  • Sheng-Ying Yue, Tao Ouyang, Ming Hu,Diameter Dependence of Lattice Thermal Conductivity of Single-Walled Carbon Nanotubes, Scientific Reports, (2015).(DOI: 10.1038/srep15440).
  • Sheng-Ying Yue, Xiaoliang Zhang, Stephen Stackhouse, Guangzhao Qin, Edoardo Di Napoli, and Ming Hu, Methodology for determining the electronic thermal conductivity of metals via direct nonequilibrium ab initio molecular dynamics, Phys. Rev. B 94, 075149 (2016).(DOI:
  • Sheng-Ying Yue, Xiaoliang Zhang, Guangzhao Qin, Jiayue Yang, and Ming Hu, Insight into the collective vibrational modes driving ultralow thermal conductivity of perovskite solar cells, Phys. Rev. B 94, 115427 (2016).(DOI:
  • Guangzhao Qin, Xiaoliang Zhang, Sheng-Ying Yue, Zhenzhen Qin, Huimin Wang, Yang Han, and Ming Hu, Resonant bonding driven giant phonon anharmonicity and low thermal conductivity of phosphorene, Phys. Rev. B 94, 165445 (2016).(DOI:
  • Guangzhao Qin, Zhenzhen Qin, Wu-Zhang Fang, Li-Chuan Zhang, Sheng-Ying Yue, Qing-Bo Yan, Ming Hu, and Gang Su, Diverse anisotropy of phonon transport in two-dimensional group IV–VI compounds: A comparative study, Nanoscale, 8, 11306-11319 (2016).(DOI: 10.1039/C6NR01349J).
  • Jia-Yue Yang, Sheng-Ying Yue, and Ming Hu, Bidirectional effect of magnetic field on electronic thermal transport of metals from all-electron first-principles calculations, Phys. Rev. B 94, 235153 (2016).(DOI:
  • Sheng-Ying Yue, Guangzhao Qin, Xiaoliang Zhang, Xianlei Sheng, Gang Su, and Ming Hu, Thermal transport in novel carbon allotropes with sp2 or sp3 hybridization: An ab initio study, Phys. Rev. B 95, 085207 (2017).(DOI:
  • Sheng-Ying Yue, Xiaoliang Zhang, Guangzhao Qin, Simon R. Phillpot, and Ming Hu , A Metric for Strong Intrinsic Fourth-Order Phonon Anharmonicity, in press.