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Journal of Chemical Theory and Computation|November 19, 2015
Self-Modulated Band Structure Engineering in C4F Nanosheets: First-Principles InsightsYafei Li, Bay Allen Pantoja, Zhongfang ChenThe Journal of Physical Chemistry Letters|August 19, 2015
XH/π (X = C, Si) Interactions in Graphene and Silicene: Weak in Strength, Strong in Tuning Band StructuresYafei Li, Zhongfang ChenThe Journal of Physical Chemistry. A|January 19, 2012
From vanadium naphthalene (V(n-1)Np(n)) sandwich clusters to VNp sandwich nanowire: structural, energetic, electronic, and magnetic propertiesYafei Li, Zhen Zhou, Zhongfang ChenAngewandte Chemie (International Ed. in English)|May 14, 2014
Be(2)C monolayer with quasi-planar hexacoordinate carbons: a global minimum structureYafei Li, Yunlong Liao, Zhongfang ChenAccounts of Chemical Research|April 1, 2020
Planar Hypercoordinate Motifs in Two-Dimensional MaterialsYu Wang, Yafei Li, Zhongfang ChenJournal of the American Chemical Society|June 12, 2012
Graphane/fluorographene bilayer: considerable C-H···F-C hydrogen bonding and effective band structure engineeringYafei Li, Fengyu Li, Zhongfang ChenJournal of the American Chemical Society|June 26, 2009
MoS2 nanoribbons: high stability and unusual electronic and magnetic propertiesYafei Li, Zhen Zhou, Shengbai Zhang, et al.ACS Nano|June 27, 2009
Spin gapless semiconductor-metal-half-metal properties in nitrogen-doped zigzag graphene nanoribbonsYafei Li, Zhen Zhou, Panwen Shen, et al.Nature Communications|May 4, 2016
Semi-metallic Be5C2 monolayer global minimum with quasi-planar pentacoordinate carbons and negative Poisson's ratioYu Wang, Feng Li, Yafei Li, et al.Journal of the American Chemical Society|December 25, 2010
SiC2 silagraphene and its one-dimensional derivatives: where planar tetracoordinate silicon happensYafei Li, Fengyu Li, Zhen Zhou, et al.Pageof 74