Affiliation: Jilin University
Location: Changchun, China
material physics and Condensed state physics
Xu S, Fan X, Liu J, Singh D, Jiang Q, Zheng W. Adsorption of Li on single-layer silicene for anodes of Li-ion batteries. Phys Chem Chem Phys. 2018;20:8887-8896 pubmed publisher
..It is predicted that the capacity of silicene can reach 1196 mA h g-1 due to Li intercalation without the breaking of the Si-Si bonds. ..
Huang H, Fan X, Singh D, Zheng W. First principles study on 2H-1T' transition in MoS2 with copper. Phys Chem Chem Phys. 2018;20:26986-26994 pubmed publisher
..Finally, we report the energetics of the 2H to 1T' transition with several other adatoms, Ag, Au, Ni, Pt and Pd, but none of them are as effective as Cu in inducing the transition. ..
Huang H, Fan X, Singh D, Chen H, Jiang Q, Zheng W. Controlling phase transition for single-layer MTe2 (M = Mo and W): modulation of the potential barrier under strain. Phys Chem Chem Phys. 2016;18:4086-94 pubmed publisher
..The dynamic energy barrier is decreased by applying the strain. The phase transition between 2H and 1T' controlled by the strain can be used to modulate the electronic properties of MoTe2 and WTe2. ..
Fan X, Singh D, Jiang Q, Zheng W. Pressure evolution of the potential barriers of phase transition of MoS2, MoSe2 and MoTe2. Phys Chem Chem Phys. 2016;18:12080-5 pubmed publisher
..It is found that the absence of a phase transition in MoSe2 and MoTe2 is due to the competition between van der Waals interaction of layers and the coulomb interaction of Mo and X in nearest-neighbor layer of Mo in both phases. ..
Liang Z, Fan X, Singh D, Zheng W. Adsorption and diffusion of Li with S on pristine and defected graphene. Phys Chem Chem Phys. 2016;18:31268-31276 pubmed
..The electronic properties confirm the excellent conductivity of pristine and defected graphene cathodes in contact with LinS clusters. ..
Liu J, Fan X, Sun C, Zhu W. DFT Study on Intermetallic Pd-Cu Alloy with Cover Layer Pd as Efficient Catalyst for Oxygen Reduction Reaction. Materials (Basel). 2017;11: pubmed publisher
..These results might be of use in designing intermetallic Pd-Cu as ORR electrocatalysts. ..
Fan X, Shen Z, Liu A, Kuo J. Band gap opening of graphene by doping small boron nitride domains. Nanoscale. 2012;4:2157-65 pubmed publisher
..Therefore, doping graphene with BN domains is an effective method to open a band gap for carbon-based next-generation microelectronic devices. ..
Tan W, Wei Z, Liu X, Liu J, Fang X, Fang D, et al
. Ordered and Disordered Phases in Mo1-xWxS2 Monolayer. Sci Rep. 2017;7:15124 pubmed publisher
..The electron effective mass in ordered phase is smaller than in disordered phase, while the heavy hole effective mass in ordered phase is larger than that in disordered phase. ..