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Tuning the Product Selectivity of Single-Atom Alloys by Active Site Modification

Surface science, 2022-03, Vol.717, p.121990, Article 121990

2022

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Catalytic properties of cyclo-carbon clusters: An investigation on o2 activation and CO oxidation

Surface science, 2022-06, Vol.720, p.1, Article 122050

2022

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Adsorption behaviour of NO, NO2, CO and CS2 molecules on the surface of carbon-doped gallium nitride nanosheet: A DFT study

Surface science, 2022-03, Vol.717, p.121988, Article 121988

2022

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A DFT+U study on the adsorption of CO, H2S, PH3, CO2 and SO2 on the V2O5(001) surface with atomic Rh adsorbed

Surface science, 2022-04, Vol.718, p.1, Article 122014

2022

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HCOOH decomposition on Pt(111): A DFT study

Surface science, 2016-06, Vol.648 (C), p.201-211

2016

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Density functional theory studies of HCOOH decomposition on Pd(111)

Surface science, 2016-08, Vol.650 (C), p.111-120

2016

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More Cu, more problems: Decreased CO2 conversion ability by Cu-doped La0.75Sr0.25FeO3 perovskite oxides

Surface science, 2016-06, Vol.648, p.92-99

2016

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More Cu, more problems: Decreased CO sub(2) conversion ability by Cu-doped La sub(0.75)Sr sub(0.25)FeO sub(3) perovskite oxides

Surface science, 2016-06, Vol.648, p.92-99

2016

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Study of Adsorption of H2, CO and NO Gas Molecules on Molybdenum Sulfide and Tungsten Sulfide Monolayers from First-Principles Calculations

Surface science, 2021-12, Vol.714, p.1, Article 121910

2021

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DFT+U study of the electronic structure changes of WO3 monoclinic and hexagonal surfaces upon Cu, Ag, and Au adsorption. Applications for CO adsorption

Surface science, 2021-12, Vol.714, p.121907, Article 121907

2021

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The role of oxygen vacancies on SnO2 surface in reducing cross-sensitivity between ambient humidity and CO: A first principles investigation

Surface science, 2021-06, Vol.708, p.121817, Article 121817

2021

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The behavior of inverse oxide/metal catalysts: CO oxidation and water-gas shift reactions over ZnO/Cu(111) surfaces

Surface science, 2019-03, Vol.681, p.116-121

2019

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Atomic and molecular adsorption on Fe(110)

Surface science, 2018-01, Vol.667, p.54-65

2018

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CO adsorption on MnO(100): Experimental benchmarks compared to DFT

Surface science, 2021-05, Vol.707 (C), p.121808, Article 121808

2021

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Interfacial Cu+ promoted surface reactivity: Carbon monoxide oxidation reaction over polycrystalline copper–titania catalysts

Surface science, 2016-10, Vol.652, p.206-212

2016

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CO adsorption over Pd nanoparticles: A general framework for IR simulations on nanoparticles

Surface science, 2016-04, Vol.646, p.210-220

2016

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Isocyanic acid (HNCO) dissociation on Rh(001) surface: A DFT study with and without dispersion correction

Surface science, 2021-07, Vol.709, p.121744, Article 121744

2021

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Adsorption of CO on the Ca3Ru2O7(001) surface

Surface science, 2019-02, Vol.680, p.18-23

2019

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A broadband sum-frequency generation vibrational spectrometer to probe adsorbed molecules on nanoparticles

Surface science, 2019-11, Vol.689, p.121459, Article 121459

2019

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Atomic and molecular adsorption on Pd(111)

Surface science, 2012-11, Vol.606 (21-22), p.1670-1679

2012

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Theoretical study of methanol synthesis from CO^sub 2^ and CO hydrogenation on the surface of ZrO^sub 2^ supported In^sub 2^O^sup 3^ catalyst

Surface science, 2018-06, Vol.672/673, p.7

2018

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Weakening the strength of CO binding on subsurface alloyed Pt(111)

Surface science, 2019-04, Vol.682 (C), p.1-7

2019

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Hydrogen-assisted versus hydroxyl-assisted CO dissociation over Co-doped Cu(111): A DFT study

Surface science, 2018-03, Vol.669, p.114-120

2018

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Thermal dissociation of CO molecules and carbon incorporation on the Si(111)-(7  ×  7) surface

Surface science, 2020-06, Vol.696, p.121589, Article 121589

2020

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Theoretical insights into CO oxidation activities on CeO2(111) steps

Surface science, 2022-08, Vol.722, p.122096, Article 122096

2022

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Tuning the Product Selectivity of Single-Atom Alloys by Active Site Modification

Catalytic properties of cyclo-carbon clusters: An investigation on o2 activation and CO oxidation

Adsorption behaviour of NO, NO2, CO and CS2 molecules on the surface of carbon-doped gallium nitride nanosheet: A DFT study

A DFT+U study on the adsorption of CO, H2S, PH3, CO2 and SO2 on the V2O5(001) surface with atomic Rh adsorbed

HCOOH decomposition on Pt(111): A DFT study

Density functional theory studies of HCOOH decomposition on Pd(111)

More Cu, more problems: Decreased CO2 conversion ability by Cu-doped La0.75Sr0.25FeO3 perovskite oxides

More Cu, more problems: Decreased CO sub(2) conversion ability by Cu-doped La sub(0.75)Sr sub(0.25)FeO sub(3) perovskite oxides

Study of Adsorption of H2, CO and NO Gas Molecules on Molybdenum Sulfide and Tungsten Sulfide Monolayers from First-Principles Calculations

DFT+U study of the electronic structure changes of WO3 monoclinic and hexagonal surfaces upon Cu, Ag, and Au adsorption. Applications for CO adsorption

The role of oxygen vacancies on SnO2 surface in reducing cross-sensitivity between ambient humidity and CO: A first principles investigation

The behavior of inverse oxide/metal catalysts: CO oxidation and water-gas shift reactions over ZnO/Cu(111) surfaces

Atomic and molecular adsorption on Fe(110)

CO adsorption on MnO(100): Experimental benchmarks compared to DFT

Interfacial Cu+ promoted surface reactivity: Carbon monoxide oxidation reaction over polycrystalline copper–titania catalysts

CO adsorption over Pd nanoparticles: A general framework for IR simulations on nanoparticles

Isocyanic acid (HNCO) dissociation on Rh(001) surface: A DFT study with and without dispersion correction

Adsorption of CO on the Ca3Ru2O7(001) surface

A broadband sum-frequency generation vibrational spectrometer to probe adsorbed molecules on nanoparticles

Atomic and molecular adsorption on Pd(111)

Theoretical study of methanol synthesis from CO^sub 2^ and CO hydrogenation on the surface of ZrO^sub 2^ supported In^sub 2^O^sup 3^ catalyst

Weakening the strength of CO binding on subsurface alloyed Pt(111)

Hydrogen-assisted versus hydroxyl-assisted CO dissociation over Co-doped Cu(111): A DFT study

Thermal dissociation of CO molecules and carbon incorporation on the Si(111)-(7  ×  7) surface

Theoretical insights into CO oxidation activities on CeO2(111) steps

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