A theoretical study of the Y₄O clusterBING DAI; KAIMING DENG; JINLONG YANG et al.Chemical physics letters. 2002, Vol 364, Num 1-2, pp 188-195, issn 0009-2614, 8 p.Article

Catenated metal-organic frameworks: Promising hydrogen purification materials and high hydrogen storage medium with further lithium dopingZHAOSHUN MENG; RUIFENG LU; DEWEI RAO et al.International journal of hydrogen energy. 2013, Vol 38, Num 23, pp 9811-9818, issn 0360-3199, 8 p.Article

Origin of the intriguing physical properties in A-site-ordered LaCu₃Fe₄O₁₂ double perovskiteHAIPING WU; YAN QIAN; WEISHI TAN et al.Physica. B, Condensed matter. 2011, Vol 406, Num 23, pp 4432-4435, issn 0921-4526, 4 p.Article

A theoretical investigation of the special properties of SrFe_1―xCo_xO₃HAIPING WU; WEISHI TAN; CHUANYUN XIAO et al.Solid state communications. 2011, Vol 151, Num 21, pp 1616-1621, issn 0038-1098, 6 p.Article

Preparation and structure of (Cu(pc))₃(ReO₄)₂ and theoretical investigation of Cu(pc)(ReO₄), Cu(pc)(ReO₄)₂, and (Cu(pc))₃(ReO₄)₂GARDBERG, Anna S; KAIMING DENG; ELLIS, D. E et al.Journal of the American Chemical Society. 2002, Vol 124, Num 19, pp 5476-5480, issn 0002-7863Article

The effect of biaxial mechanical strain on the physical properties of double perovskite Sr₂FeMoO₆: A theoretical studyRUIFENG LU; HAIPING WU; YAN QIAN et al.Solid state communications. 2014, Vol 191, pp 70-75, issn 0038-1098, 6 p.Article

Geometric and Electronic Structures as well as Thermodynamic Stability of Hexyl-Modified Silicon NanosheetFENG LI; RUIFENG LU; QIUSHI YAO et al.Journal of physical chemistry. C. 2013, Vol 117, Num 25, pp 13283-13288, issn 1932-7447, 6 p.Article

Tunable band gap and hydrogen adsorption property of a two-dimensional porous polymer by nitrogen substitutionRUIFENG LU; ZHAOSHUN MENG; ERJUN KAN et al.PCCP. Physical chemistry chemical physics (Print). 2013, Vol 15, Num 2, pp 666-670, issn 1463-9076, 5 p.Article

Tuning the physical properties of antiferromagnetic perovskite oxide NiCrO₃ by high-pressure from density-functional calculationsYAN QIAN; HAIPING WU; YUZHEN LIU et al.Solid state communications. 2013, Vol 170, pp 24-29, issn 0038-1098, 6 p.Article

Boron-substituted graphyne as a versatile material with high storage capacities of Li and H₂: a multiscale theoretical studyRUIFENG LU; DEWEI RAO; ZHAOSHUN MENG et al.PCCP. Physical chemistry chemical physics (Print). 2013, Vol 15, Num 38, pp 16120-16126, issn 1463-9076, 7 p.Article

The strain effect on colossal oxygen ionic conductivity in nanoscale zirconia electrolytes: a first-principles-based studyFENG LI; RUIFENG LU; HAIPING WU et al.PCCP. Physical chemistry chemical physics (Print). 2013, Vol 15, Num 8, pp 2692-2697, issn 1463-9076, 6 p.Article

Electronic properties and hydrogen storage application of designed porous nanotubes from a polyphenylene networkDEWEI RAO; RUIFENG LU; HAIPING WU et al.International journal of hydrogen energy. 2014, Vol 39, Num 33, pp 18966-18975, issn 0360-3199, 10 p.Article

Prominently Improved Hydrogen Purification and Dispersive Metal Binding for Hydrogen Storage by Substitutional Doping in Porous GrapheneRUIFENG LU; DEWEI RAO; WEIQIAO DENG et al.Journal of physical chemistry. C. 2012, Vol 116, Num 40, pp 21291-21296, issn 1932-7447, 6 p.Article