List of works - Xueqing Gong

13 C NMR Guides Rational Design of Nanocatalysts via Chemisorption Evaluation in Liquid Phase ⬇️

scientific article published on April 8, 2011

A DFT + U study of NO evolution at reduced CeO2(110)

scientific article published in 2014

A DFT study on surface dependence of β-Ga2O3 for CO2 hydrogenation to CH3OH

scientific article published in December 2014

A DFT+U study of the lattice oxygen reactivity toward direct CO oxidation on the CeO2(111) and (110) surfaces

scientific article published in 2012

A density functional theory study of hydrogen dissociation and diffusion at the perimeter sites of Au/TiO2

scientific article published in 2012

A highly effective Ni-modified MnOx catalyst for total oxidation of propane: the promotional role of nickel oxide

scientific article published in 2016

A new PET and FRET-based molecular logic circuit mimicking the three-state logic gate

Acrolein hydrogenation on Pt(211) and Au(211) surfaces: a density functional theory study

scientific article published in 2011

Adsorbate Induced Restructuring ofTiO2(011)−(2×1)Leads to One-Dimensional Nanocluster Formation

scientific article published on 9 March 2012

AgBr tetradecahedrons with co-exposed {100} and {111} facets: simple fabrication and enhancing spatial charge separation using facet heterojunctions

scientific article published in 2016

An Artificial Molecular Shuttle Operates in Lipid Bilayers for Ion Transport

scientific article published on 28 November 2018

An efficiently tuned d-orbital occupation of IrO by doping with Cu for enhancing the oxygen evolution reaction activity

scientific article published in August 2015

Anatase TiO2 Crystals with Exposed High-Index Facets

scientific article published on 17 March 2011

Bandgap engineering of novel peryleno[1,12-<i>bcd</i>]thiophene sulfone-based conjugated co-polymers for significantly enhanced hydrogen evolution without co-catalyst

scientific article published in 2020

Black Tungsten Nitride as a Metallic Photocatalyst for Overall Water Splitting Operable at up to 765 nm

scientific article published on 19 May 2017

Boosting Power Conversion Efficiencies of Quantum-Dot-Sensitized Solar Cells Beyond 8% by Recombination Control

scientific article published on 16 April 2015

CHx hydrogenation on Co(0001): A density functional theory study

scientific article published on 8 January 2005

Catalytic Activity Control via Crossover between Two Different Microstructures

scientific article published on 8 September 2017

Catalytic properties of Pt/Al2O3 catalysts in the aqueous-phase reforming of ethylene glycol: Effect of the alumina support

scientific article published on 30 November 2011

Chemical activity of oxygen vacancies on ceria: a combined experimental and theoretical study on CeO2(111)

scientific article published in 2014

Clarifying the impacts of surface hydroxyls on CO oxidation on CeO2(100) surfaces: a DFT+U study

scientific article published on 30 March 2020

Clustering of Oxygen Vacancies atCeO2(111): Critical Role of Hydroxyls

scientific article published on 26 February 2016

Cooperative catalysis for the direct hydrodeoxygenation of vegetable oils into diesel-range alkanes over Pd/NbOPO4

scientific article published in 2016

Current status and perspectives of rare earth catalytic materials and catalysis

scientific article published in August 2014

DFT + U study of the CO + NOx reaction on a CeO2(110)-supported Au nanoparticle

scientific article published in August 2014

Dendrimer-mediated hydrothermal synthesis of ultrathin gold nanowires

scientific article

Density functional theory study of mixed-phase TiO2: heterostructures and electronic properties

scientific article published in April 2014

Direct hydrodeoxygenation of raw woody biomass into liquid alkanes

scientific article

Distinguishing faceted oxide nanocrystals with 17O solid-state NMR spectroscopy

scientific article published on 18 September 2017

Effect of the crystal plane figure on the catalytic performance of MnO2for the total oxidation of propane

scientific article published in 2015

Effects of Metal Oxyhydroxide Coatings on Photoanode in Quantum Dot Sensitized Solar Cells

scientific article published on 18 March 2016

Evidence to challenge the universality of the Horiuti-Polanyi mechanism for hydrogenation in heterogeneous catalysis: origin and trend of the preference of a non-Horiuti-Polanyi mechanism

scientific article published on 27 September 2013

From titanium oxydifluoride (TiOF2) to titania (TiO2): phase transition and non-metal doping with enhanced photocatalytic hydrogen (H2) evolution properties

scientific article published in 2011

General Insight into CO Oxidation: A Density Functional Theory Study of the Reaction Mechanism on Platinum Oxides

scientific article published on 2 September 2004

High-performance PdNi alloy structured in situ on monolithic metal foam for coalbed methane deoxygenation via catalytic combustion

scientific article

Hollandite Structure K(x≈0.25)IrO2 Catalyst with Highly Efficient Oxygen Evolution Reaction.

scientific article published on 22 December 2015

Hydrogen bonding controls the dynamics of catechol adsorbed on a TiO2(110) surface.

scientific article published in May 2010

Locating structures and evolution pathways of reconstructed rutile TiO2(011) using genetic algorithm aided density functional theory calculations.

scientific article published on 26 April 2016

Methanol Conversion into Dimethyl Ether on the Anatase TiO2(001) Surface

scientific article published on 23 November 2015

NO adsorption and diffusion on hydroxylated rutile TiO2(110).

scientific article published on 23 September 2015

New Directions for Atomic Steps: Step Alignment by Grazing Incident Ion Beams onTiO2(110)

scientific article published on 22 April 2009

OER activity manipulated by IrO6 coordination geometry: an insight from pyrochlore iridates.

scientific article published on 02 December 2016

Operando NMR spectroscopic analysis of proton transfer in heterogeneous photocatalytic reactions.

scientific article published on 17 June 2016

Ordered Fe(II)Ti(IV)O3 Mixed Monolayer Oxide on Rutile TiO2(011)

scientific article published on 4 August 2015

Pd/NbOPO₄ multifunctional catalyst for the direct production of liquid alkanes from aldol adducts of furans.

scientific article published on 18 July 2014

Perchloric acid catalyzed homogeneous and heterogeneous addition of beta-dicarbonyl compounds to alcohols and alkenes and investigation of the mechanism.

scientific article published in August 2010

Photocatalytic reduction of CO 2 with water vapor on surface La-modified TiO 2 nanoparticles with enhanced CH 4 selectivity

scientific article published in June 2015

Prominent Electronic and Geometric Modifications of Palladium Nanoparticles by Polymer Stabilizers for Hydrogen Production under Ambient Conditions

scientific article published on 17 September 2012

Promotional Effect of Carbon on Fe Catalysts for Ammonia Decomposition: A Density Functional Theory Study

scientific article published on 22 November 2013

Pt-Doped NiFe₂O₄ Spinel as a Highly Efficient Catalyst for H₂ Selective Catalytic Reduction of NO at Room Temperature.

scientific article published on 16 March 2016

Reactivity of Anatase TiO2Nanoparticles: The Role of the Minority (001) Surface

scientific article published in October 2005

Realization approach of Pd-only three-way catalysts with high catalytic performance and thermal stability

scientific article published on 10 December 2014

Role and reduction of NOx in the catalytic combustion of soot over iron–ceria mixed oxide catalyst

scientific article published in February 2013

Role of oxygen vacancies in the surface evolution of H at CeO2(111): a charge modification effect

scientific article published in 2015

Selectivity switching resulting in the formation of benzene by surface carbonates on ceria in catalytic gas-phase oxidation of benzyl alcohol.

scientific article published on 18 January 2016

Small Au and Pt Clusters at the Anatase TiO2(101) Surface: Behavior at Terraces, Steps, and Surface Oxygen Vacancies

scientific article published in January 2008

Solvent-free selective oxidation of cyclohexane with molecular oxygen over manganese oxides: Effect of the calcination temperature

scientific article published in January 2016

Steps on anatase TiO2(101)

scientific article published on 16 July 2006

Study on the catalytic reaction mechanism of low temperature oxidation of CO over Pd–Cu–Clx/Al2O3 catalyst

scientific article published in October 2011

Surfactant-Mediated One-Pot Method To Prepare Pd–CeO2 Colloidal Assembled Spheres and Their Enhanced Catalytic Performance for CO Oxidation

scientific article published on 19 July 2016

Tailoring nano-catalysts: turning gold nanoparticles on bulk metal oxides to inverse nano-metal oxides on large gold particles.

scientific article published on 4 March 2015

The stability and deactivation of Pd–Cu–Clx/Al2O3 catalyst for low temperature CO oxidation: an effect of moisture

scientific article published in 2011

The synthesis of Co-doped SAPO-5 molecular sieve and its performance in the oxidation of cyclohexane with molecular oxygen

scientific article published in February 2016

The unexpected preference for the fac-isomer with the tris(5-ester-substituted-2,2'-bipyridine) complexes of ruthenium(II).

scientific article published in March 2004

Unique Electronic and Structural Effects in Vanadia/Ceria-Catalyzed Reactions

scientific article published on 6 October 2015

Wu and Gong Reply:

scientific article published on 30 December 2016

List of works by Xueqing Gong

13 C NMR Guides Rational Design of Nanocatalysts via Chemisorption Evaluation in Liquid Phase ⬇️

A DFT + U study of NO evolution at reduced CeO2(110)

A DFT study on surface dependence of β-Ga2O3 for CO2 hydrogenation to CH3OH

A DFT+U study of the lattice oxygen reactivity toward direct CO oxidation on the CeO2(111) and (110) surfaces

A density functional theory study of hydrogen dissociation and diffusion at the perimeter sites of Au/TiO2

A highly effective Ni-modified MnOx catalyst for total oxidation of propane: the promotional role of nickel oxide

A new PET and FRET-based molecular logic circuit mimicking the three-state logic gate

Acrolein hydrogenation on Pt(211) and Au(211) surfaces: a density functional theory study

Adsorbate Induced Restructuring ofTiO2(011)−(2×1)Leads to One-Dimensional Nanocluster Formation

AgBr tetradecahedrons with co-exposed {100} and {111} facets: simple fabrication and enhancing spatial charge separation using facet heterojunctions

An Artificial Molecular Shuttle Operates in Lipid Bilayers for Ion Transport

An efficiently tuned d-orbital occupation of IrO by doping with Cu for enhancing the oxygen evolution reaction activity

Anatase TiO2 Crystals with Exposed High-Index Facets

Bandgap engineering of novel peryleno[1,12-<i>bcd</i>]thiophene sulfone-based conjugated co-polymers for significantly enhanced hydrogen evolution without co-catalyst

Black Tungsten Nitride as a Metallic Photocatalyst for Overall Water Splitting Operable at up to 765 nm

Boosting Power Conversion Efficiencies of Quantum-Dot-Sensitized Solar Cells Beyond 8% by Recombination Control

CHx hydrogenation on Co(0001): A density functional theory study

Catalytic Activity Control via Crossover between Two Different Microstructures

Catalytic properties of Pt/Al2O3 catalysts in the aqueous-phase reforming of ethylene glycol: Effect of the alumina support

Chemical activity of oxygen vacancies on ceria: a combined experimental and theoretical study on CeO2(111)

Clarifying the impacts of surface hydroxyls on CO oxidation on CeO2(100) surfaces: a DFT+U study

Clustering of Oxygen Vacancies atCeO2(111): Critical Role of Hydroxyls

Cooperative catalysis for the direct hydrodeoxygenation of vegetable oils into diesel-range alkanes over Pd/NbOPO4

Current status and perspectives of rare earth catalytic materials and catalysis

DFT + U study of the CO + NOx reaction on a CeO2(110)-supported Au nanoparticle

Dendrimer-mediated hydrothermal synthesis of ultrathin gold nanowires

Density functional theory study of mixed-phase TiO2: heterostructures and electronic properties

Direct hydrodeoxygenation of raw woody biomass into liquid alkanes

Distinguishing faceted oxide nanocrystals with 17O solid-state NMR spectroscopy

Effect of the crystal plane figure on the catalytic performance of MnO2for the total oxidation of propane

Effects of Metal Oxyhydroxide Coatings on Photoanode in Quantum Dot Sensitized Solar Cells

Evidence to challenge the universality of the Horiuti-Polanyi mechanism for hydrogenation in heterogeneous catalysis: origin and trend of the preference of a non-Horiuti-Polanyi mechanism

From titanium oxydifluoride (TiOF2) to titania (TiO2): phase transition and non-metal doping with enhanced photocatalytic hydrogen (H2) evolution properties

General Insight into CO Oxidation: A Density Functional Theory Study of the Reaction Mechanism on Platinum Oxides

High-performance PdNi alloy structured in situ on monolithic metal foam for coalbed methane deoxygenation via catalytic combustion

Hollandite Structure K(x≈0.25)IrO2 Catalyst with Highly Efficient Oxygen Evolution Reaction.

Hydrogen bonding controls the dynamics of catechol adsorbed on a TiO2(110) surface.

Locating structures and evolution pathways of reconstructed rutile TiO2(011) using genetic algorithm aided density functional theory calculations.

Methanol Conversion into Dimethyl Ether on the Anatase TiO2(001) Surface

NO adsorption and diffusion on hydroxylated rutile TiO2(110).

New Directions for Atomic Steps: Step Alignment by Grazing Incident Ion Beams onTiO2(110)

OER activity manipulated by IrO6 coordination geometry: an insight from pyrochlore iridates.

Operando NMR spectroscopic analysis of proton transfer in heterogeneous photocatalytic reactions.

Ordered Fe(II)Ti(IV)O3 Mixed Monolayer Oxide on Rutile TiO2(011)

Pd/NbOPO₄ multifunctional catalyst for the direct production of liquid alkanes from aldol adducts of furans.

Perchloric acid catalyzed homogeneous and heterogeneous addition of beta-dicarbonyl compounds to alcohols and alkenes and investigation of the mechanism.

Photocatalytic reduction of CO 2 with water vapor on surface La-modified TiO 2 nanoparticles with enhanced CH 4 selectivity

Prominent Electronic and Geometric Modifications of Palladium Nanoparticles by Polymer Stabilizers for Hydrogen Production under Ambient Conditions

Promotional Effect of Carbon on Fe Catalysts for Ammonia Decomposition: A Density Functional Theory Study

Pt-Doped NiFe₂O₄ Spinel as a Highly Efficient Catalyst for H₂ Selective Catalytic Reduction of NO at Room Temperature.

Reactivity of Anatase TiO2Nanoparticles: The Role of the Minority (001) Surface

Realization approach of Pd-only three-way catalysts with high catalytic performance and thermal stability

Role and reduction of NOx in the catalytic combustion of soot over iron–ceria mixed oxide catalyst

Role of oxygen vacancies in the surface evolution of H at CeO2(111): a charge modification effect

Selectivity switching resulting in the formation of benzene by surface carbonates on ceria in catalytic gas-phase oxidation of benzyl alcohol.

Small Au and Pt Clusters at the Anatase TiO2(101) Surface: Behavior at Terraces, Steps, and Surface Oxygen Vacancies

Solvent-free selective oxidation of cyclohexane with molecular oxygen over manganese oxides: Effect of the calcination temperature

Steps on anatase TiO2(101)

Study on the catalytic reaction mechanism of low temperature oxidation of CO over Pd–Cu–Clx/Al2O3 catalyst

Surfactant-Mediated One-Pot Method To Prepare Pd–CeO2 Colloidal Assembled Spheres and Their Enhanced Catalytic Performance for CO Oxidation

Tailoring nano-catalysts: turning gold nanoparticles on bulk metal oxides to inverse nano-metal oxides on large gold particles.

The stability and deactivation of Pd–Cu–Clx/Al2O3 catalyst for low temperature CO oxidation: an effect of moisture

The synthesis of Co-doped SAPO-5 molecular sieve and its performance in the oxidation of cyclohexane with molecular oxygen

The unexpected preference for the fac-isomer with the tris(5-ester-substituted-2,2'-bipyridine) complexes of ruthenium(II).

Unique Electronic and Structural Effects in Vanadia/Ceria-Catalyzed Reactions

Wu and Gong Reply: