Lista de obras - Qingfeng Ge - Dominio Público Uruguay

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

artículo científico publicado el 15 de octubre de 2012

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

artículo científico publicado en 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

artículo científico publicado en 2006

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

artículo científico publicado en 2012

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

artículo científico publicado en 2006

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

artículo científico publicado en 2008

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

artículo científico publicado en 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.

artículo científico publicado en 2016

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

artículo científico publicado en 2009

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

artículo científico publicado en 2010

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

artículo científico publicado en 2009

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

artículo científico publicado en 2007

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

artículo científico publicado en 2013

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

artículo científico publicado en 2006

Ordering of Ruthenium Cluster Carbonyls in Mesoporous Silica

artículo científico publicado en 1998

Structure dependence of NO adsorption and dissociation on platinum surfaces.

artículo científico publicado en 2004

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

artículo científico publicado en 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

artículo científico publicado en 2013

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

artículo científico publicado en 2011

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

artículo científico publicado en 2008

Lista de obras de Qingfeng Ge

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

Ordering of Ruthenium Cluster Carbonyls in Mesoporous Silica

Structure dependence of NO adsorption and dissociation on platinum surfaces.

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

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

Tunability of band gaps in metal-organic frameworks

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

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

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