Novel lithium-nitrogen compounds at ambient and high pressuresShen, Yanqing; Oganov, Artem R.; Qian, Guangri; Zhang, Jin; Dong, Huafeng; Zhu, Qiang; Zhou, Zhongxiang · Scientific Reports · 2015

First-principles study of CO2 adsorption on KNTN (001) surfacesShen, Yanqing; Wang, Wenhan; Wang, Xiaoou; Zhou, Zhongxiang; Fei, Weidong · Applied Surface Science · 2014

The effects of the doped Cu on the physical properties of KNbO3 crystalYanqing Shen; Zhongxiang Zhou · 2008

Adsorption of water on the KNTN (001) surface: A density functional theory studyWang, Wenhan; Shen, Yanqing; Wang, Xiaoou; Zhou, Zhongxiang; Fei, Weidong · Applied Surface Science · 2014

Two-dimensional electron gas in the KNbO3:Y ultrathin filmShen, Yanqing; Wang, Wenhan; Zhou, Zhongxiang; Jiang, Yongyuan; Hou, Chunfeng; Fei, Weidong · Journal of Materials Science · 2015

A water splitting photocatalysis: Blue phosphorus/g-GeC van der Waals heterostructureGao, Xu; Shen, Yanqing; Ma, Yanyan; Wu, Shengyao; Zhou, Zhongxiang · Applied Physics Letters · 2019

Properties of KNTN [1 0 0] surfaces: A first-principles studySun Hongguo; Zhou Zhongxiang; Yuan Chengxun; Shen Yanqing · 2011

ZnO/g-GeC van der Waals heterostructure: novel photocatalyst for small molecule splittingGao, Xu; Shen, Yanqing; Ma, Yanyan; Wu, Shengyao; Zhou, Zhongxiang · Journal of Materials Chemistry C · 2019

IFCComputational Materials Science · 2013

IFCComputational Materials Science · 2012

IFCComputational Materials Science · 2012

IFCComputational Materials Science · 2013

Elastoplasticity of auxetic materialsDirrenberger, J.; Forest, S.; Jeulin, D. · Computational Materials Science · 2012

PrefaceO’Dowd, Noel; O’Mahoney, Denis; Schmauder, Siegfried · Computational Materials Science · 2012

EditorialMoelans, Nele; Samaey, Giovanni · Computational Materials Science · 2013

Solid and liquid junctionsLuedtke, W.D.; Landman, Uzi · Computational Materials Science · 1992