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The Journal of Physical Chemistry. B|December 22, 2006
A first-principles analysis of hydrogen interaction in Ti-doped NaAlH4 surfaces: structure and energeticsJianjun Liu, Qingfeng GeJournal of Chemical Theory and Computation|November 27, 2015
Hydrogen Interaction in Ti-Doped LiBH4 for Hydrogen Storage: A Density Functional AnalysisJianjun Liu, Qingfeng GeChemical Communications (Cambridge, England)|April 20, 2006
A precursor state for formation of TiAl3 complex in reversible hydrogen desorption/adsorption from Ti-doped NaAlH4Jianjun Liu, Qingfeng GeJournal of Physics. Condensed Matter : an Institute of Physics Journal|August 16, 2011
Using first-principles metadynamics simulation to predict new phases and probe the phase transition of NaAlH4Jianjun Liu, Qingfeng GeChemistry (Weinheim an Der Bergstrasse, Germany)|December 31, 2008
Effect of doped transition metal on reversible hydrogen release/uptake from NaAlH4Jianjun Liu, You Han, Qingfeng GeThe Journal of Physical Chemistry. A|November 2, 2010
Transition-metal-doped aluminum hydrides as building blocks for supramolecular assembliesJianjun Liu, Jiamei Yu, Qingfeng GeMolecules (Basel, Switzerland)|January 8, 2023
Mechanism and Selectivity of Electrochemical Reduction of CO2 on Metalloporphyrin Catalysts from DFT StudiesZaheer Masood, Qingfeng GeChemical Communications (Cambridge, England)|June 26, 2023
Metal/metal-oxide interface catalysed thermal and electrochemical CO2 conversion: a perspective from DFT-based studiesJingyun Ye, Qingfeng GeDalton Transactions (Cambridge, England : 2003)|August 4, 2021
Electrochemical reduction of CO2 to CO and HCOO- using metal-cyclam complex catalysts: predicting selectivity and limiting potential from DFTZaheer Masood, Qingfeng GeThe Journal of Physical Chemistry. B|August 4, 2006
Adsorption and activation of CO over flat and stepped Co surfaces: a first principles analysisQingfeng Ge, Matthew NeurockPageof 149