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Insights into the alloy-support synergistic effects for the CO2 hydrogenation towards methanol on oxide-supported Ni5Ga3 catalysts: An experimental and DFT study

Applied catalysis. B, Environmental, 2022-03, Vol.302, p.120842, Article 120842

2022

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Ab initio study for late steps of CO 2 and CO electroreduction: from CHCO toward C 2 products on Cu and CuZn nanoclusters

Physical chemistry chemical physics : PCCP, 2023-12, Vol.25 (48), p.32931-32938

2023

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Ab Initio Study of the C–O Bond Dissociation in CO2 Reduction by Redox and Carboxyl Routes on 3d Transition Metal Systems

Journal of physical chemistry. C, 2021-12, Vol.125 (48), p.26296-26306

2021

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Ab initio study for late steps of CO2 and CO electroreduction: from CHCO toward C2 products on Cu and CuZn nanoclusters

Physical chemistry chemical physics : PCCP, 2023-12, Vol.25 (48), p.32931-32938

2023

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The effects of near-surface atomic order on the catalytic properties of Cu3Au and CuAu3 intermetallics for the CO2 reduction reaction

Catalysis science & technology, 2023-11, Vol.13 (22), p.6415-6430

2023

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Ab initio screening of Pt-based transition-metal nanoalloys using descriptors derived from the adsorption and activation of CO2

Physical chemistry chemical physics : PCCP, 2021-01, Vol.23 (10), p.6029-6041

2021

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Ab Initio Study of CO2 Activation on Pristine and Fe-Decorated WS2 Nanoflakes

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2021-09, Vol.125 (36), p.7769-7777

2021

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Ab initio study of the adsorption properties of CO2 reduction intermediates: The effect of Ni5Ga3 alloy and the Ni5Ga3/ZrO2 interface

The Journal of chemical physics, 2022-06, Vol.156 (21), p.214106-214106

2022

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Computational screening of silver-based single-atom alloys catalysts for CO2 reduction

The Journal of chemical physics, 2024-03, Vol.160 (9)

2024

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Ab initio screening of Pt-based transition-metal nanoalloys using descriptors derived from the adsorption and activation of CO 2

Physical chemistry chemical physics : PCCP, 2021-03, Vol.23 (10), p.6029-6041

2021

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The role of single-atom Rh-dopants in the adsorption properties of OH and CO on stepped Ag(211) surfaces

Physical chemistry chemical physics : PCCP, 2023-02, Vol.25 (6), p.4939-4949

2023

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Exploring the adsorption site coordination as a strategy to tune copper catalysts for CO2 electro-reduction

Catalysis science & technology, 2022-02, Vol.12 (3), p.869-879

2022

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Ab initio investigation of the formation mechanism of nano-interfaces between 3d-late transition-metals and ZrO 2 nanoclusters

Physical chemistry chemical physics : PCCP, 2020-04, Vol.22 (15), p.8067-8076

2020

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The role of site coordination on the CO2 electroreduction pathway on stepped and defective copper surfaces

Catalysis science & technology, 2021-01, Vol.11 (8), p.2770-2781

2021

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Ab initio investigation of the formation mechanism of nano-interfaces between 3d-late transition-metals and ZrO2 nanoclusters

Physical chemistry chemical physics : PCCP, 2020-04, Vol.22 (15), p.8067-8076

2020

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Commensurability effects in the critical forces of a superconducting film with Kagomé pinning array at submatching fields

The European physical journal. B, Condensed matter physics, 2017-09, Vol.90 (9), p.1-8, Article 169

2017

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Theoretical Tuning of the Cu/S Ratio on Two-Dimensional CuS x Materials for the CO2 Electrochemical Reduction Reaction

Journal of physical chemistry. C, 2023-12, Vol.127 (50), p.24118-24128

2023

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Theoretical Tuning of the Cu/S Ratio on Two-Dimensional CuS x Materials for the CO 2 Electrochemical Reduction Reaction

Journal of physical chemistry. C, 2023-12, Vol.127 (50), p.24118-24128

2023

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study for late steps of CO and CO electroreduction: from CHCO toward C products on Cu and CuZn nanoclusters

Physical chemistry chemical physics : PCCP, 2023-12, Vol.25 (48), p.32931-32938

2023

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Ab Initio Study of the C–O Bond Dissociation in CO 2 Reduction by Redox and Carboxyl Routes on 3d Transition Metal Systems

Journal of physical chemistry. C, 2021-12, Vol.125 (48), p.26296-26306

2021

Volltextzugriff (PDF)

Ab Initio Study of CO 2 Activation on Pristine and Fe-Decorated WS 2 Nanoflakes

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2021-09, Vol.125 (36), p.7769-7777

2021

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The effects of near-surface atomic order on the catalytic properties of Cu 3 Au and CuAu 3 intermetallics for the CO 2 reduction reaction

Catalysis science & technology, 2023-11, Vol.13 (22), p.6415-6430

2023

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The effects of near-surface atomic order on the catalytic properties of CuAu and CuAu intermetallics for the CO reduction reaction

Catalysis science & technology, 2023-11, Vol.13 (22), p.6415-643

2023

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screening of Pt-based transition-metal nanoalloys using descriptors derived from the adsorption and activation of CO

Physical chemistry chemical physics : PCCP, 2021-03, Vol.23 (1), p.629-641

2021

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investigation of the formation mechanism of nano-interfaces between 3d-late transition-metals and ZrO nanoclusters

Physical chemistry chemical physics : PCCP, 2020-04, Vol.22 (15), p.867-876

2020

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Insights into the alloy-support synergistic effects for the CO2 hydrogenation towards methanol on oxide-supported Ni5Ga3 catalysts: An experimental and DFT study

Ab initio study for late steps of CO 2 and CO electroreduction: from CHCO toward C 2 products on Cu and CuZn nanoclusters

Ab Initio Study of the C–O Bond Dissociation in CO2 Reduction by Redox and Carboxyl Routes on 3d Transition Metal Systems

Ab initio study for late steps of CO2 and CO electroreduction: from CHCO toward C2 products on Cu and CuZn nanoclusters

The effects of near-surface atomic order on the catalytic properties of Cu3Au and CuAu3 intermetallics for the CO2 reduction reaction

Ab initio screening of Pt-based transition-metal nanoalloys using descriptors derived from the adsorption and activation of CO2

Ab Initio Study of CO2 Activation on Pristine and Fe-Decorated WS2 Nanoflakes

Ab initio study of the adsorption properties of CO2 reduction intermediates: The effect of Ni5Ga3 alloy and the Ni5Ga3/ZrO2 interface

Computational screening of silver-based single-atom alloys catalysts for CO2 reduction

Ab initio screening of Pt-based transition-metal nanoalloys using descriptors derived from the adsorption and activation of CO 2

The role of single-atom Rh-dopants in the adsorption properties of OH and CO on stepped Ag(211) surfaces

Exploring the adsorption site coordination as a strategy to tune copper catalysts for CO2 electro-reduction

Ab initio investigation of the formation mechanism of nano-interfaces between 3d-late transition-metals and ZrO 2 nanoclusters

The role of site coordination on the CO2 electroreduction pathway on stepped and defective copper surfaces

Ab initio investigation of the formation mechanism of nano-interfaces between 3d-late transition-metals and ZrO2 nanoclusters

Commensurability effects in the critical forces of a superconducting film with Kagomé pinning array at submatching fields

Theoretical Tuning of the Cu/S Ratio on Two-Dimensional CuS x Materials for the CO2 Electrochemical Reduction Reaction

Theoretical Tuning of the Cu/S Ratio on Two-Dimensional CuS x Materials for the CO 2 Electrochemical Reduction Reaction

study for late steps of CO and CO electroreduction: from CHCO toward C products on Cu and CuZn nanoclusters

Ab Initio Study of the C–O Bond Dissociation in CO 2 Reduction by Redox and Carboxyl Routes on 3d Transition Metal Systems

Ab Initio Study of CO 2 Activation on Pristine and Fe-Decorated WS 2 Nanoflakes

The effects of near-surface atomic order on the catalytic properties of Cu 3 Au and CuAu 3 intermetallics for the CO 2 reduction reaction

The effects of near-surface atomic order on the catalytic properties of CuAu and CuAu intermetallics for the CO reduction reaction

screening of Pt-based transition-metal nanoalloys using descriptors derived from the adsorption and activation of CO

investigation of the formation mechanism of nano-interfaces between 3d-late transition-metals and ZrO nanoclusters

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