List of works - Qingfeng Ge

A DFT study of methanol dehydrogenation on the PdIn(110) surface ⬇️

scientific article published on October 15, 2012

A density functional theory study on reduction-induced structural transformation of copper-oxide-based oxygen carrier

scientific article published on 01 February 2020

A first-principles analysis of hydrogen interaction in Ti-doped NaAlH4 surfaces: structure and energetics

scientific article published on 01 December 2006

A precursor state for formation of TiAl3 complex in reversible hydrogen desorption/adsorption from Ti-doped NaAlH4

scientific article published on 28 March 2006

Acetone-Assisted Oxygen Vacancy Diffusion on TiO2(110).

scientific article published on October 2012

Adsorption and activation of CO over flat and stepped Co surfaces: a first principles analysis

scientific article published on 01 August 2006

Adsorption and protonation of CO2 on partially hydroxylated gamma-Al2O3 surfaces: a density functional theory study

scientific article published on 4 October 2008

Characterization of surface and bulk nitrates of gamma-Al2O3-supported alkaline earth oxides using density functional theory.

scientific article published on 3 March 2009

DFT studies of Pt/Au bimetallic clusters and their interactions with the CO molecule

scientific article published on 01 December 2005

Direct C-C Coupling of CO2 and the Methyl Group from CH4 Activation through Facile Insertion of CO2 into Zn-CH3 σ-Bond.

scientific article published on 23 July 2016

Effect of doped transition metal on reversible hydrogen release/uptake from NaAlH4

scientific article published on 01 January 2009

Effects of hydration and oxygen vacancy on CO2 adsorption and activation on beta-Ga2O3(100).

scientific article published in April 2010

Hydrogen Interaction in Ti-Doped LiBH4 for Hydrogen Storage: A Density Functional Analysis

scientific article published on 01 November 2009

Imaging intrinsic diffusion of bridge-bonded oxygen vacancies on TiO2(110)

scientific article published on 21 September 2007

Imaging reactions of acetone with oxygen adatoms on partially oxidized TiO2(110).

scientific article published on 11 July 2013

Interaction of Pt clusters with the anatase TiO(2)(101) surface: a first principles study

scientific article published in April 2006

Ordering of Ruthenium Cluster Carbonyls in Mesoporous Silica

scientific article published in Science

Structure dependence of NO adsorption and dissociation on platinum surfaces.

scientific article

Surface chemistry and reactivity of α-MoO3 toward methane: A SCAN-functional based DFT study

scientific article published on 01 July 2019

Transition-metal-doped aluminum hydrides as building blocks for supramolecular assemblies

scientific article published on 29 October 2010

Tunability of band gaps in metal-organic frameworks

scientific article published on 27 July 2012

Understanding electronic and optical properties of anatase TiO2 photocatalysts co-doped with nitrogen and transition metals

scientific article published on 7 May 2013

Using first-principles metadynamics simulation to predict new phases and probe the phase transition of NaAlH4

scientific article published on 01 August 2011

Vacancy-assisted diffusion of alkoxy species on rutile TiO2(110)

scientific article published on 08 October 2008

List of works by Qingfeng Ge