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Fine-tuned local coordination environment of Pt single atoms on ceria controls catalytic reactivity

Nature communications, 2022-11, Vol.13 (1), p.7070-16, Article 7070

2022

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Rationale for the Higher Reactivity of Interfacial Sites in Methanol Decomposition on Au13/TiO2(110)

Journal of the American Chemical Society, 2013-05, Vol.135 (20), p.7629-7635

2013

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Effect of Ligands on the Geometric and Electronic Structure of Au13 Clusters

Journal of physical chemistry. C, 2009-07, Vol.113 (28), p.12072-12078

2009

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Structural and Electronic Properties of Micellar Au Nanoparticles: Size and Ligand Effects

ACS nano, 2014-07, Vol.8 (7), p.6671-6681

2014

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Rate-Determining Steps in CO Oxidation on Pt Single Atom Sites on CeO 2 Surfaces

Journal of physical chemistry. C, 2024-08, Vol.128 (32), p.13422-13431

2024

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Rate-Determining Steps in CO Oxidation on Pt Single Atom Sites on CeO2 Surfaces

Journal of physical chemistry. C, 2024-08, Vol.128 (32), p.13422-13431

2024

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Effect of surface acidity modulation on Pt/Al2O3 single atom catalyst for carbon monoxide oxidation and methanol decomposition

Catalysis today, 2022-09, Vol.402 (C), p.149-160

2022

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Effects of γ-Al 2 O 3 Support on the Morphology and Electronic Structure of Pt Nanoparticles

Journal of physical chemistry. C, 2019-07, Vol.123 (27), p.16893-16901

2019

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Effect of Ligands on the Geometric and Electronic Structure of Au 13 Clusters

Journal of physical chemistry. C, 2009-07, Vol.113 (28), p.12072-12078

2009

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H-Atom Position as Pattern-Determining Factor in Arenethiol Films

Journal of the American Chemical Society, 2009-04, Vol.131 (15), p.5540-5545

2009

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Effects of γ‑Al2O3 Support on the Morphology and Electronic Structure of Pt Nanoparticles

Journal of physical chemistry. C, 2019-07, Vol.123 (27), p.16893-16901

2019

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Adsorption and diffusion of hydrogen on Pd(211) and Pd(111): Results from first-principles electronic structure calculations

Physical review. B, Condensed matter and materials physics, 2007-04, Vol.75 (15), Article 155405

2007

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Effect of surface acidity modulation on Pt/Al2O3 single atom catalyst for carbon monoxide oxidation and methanol decomposition

Catalysis today, 2022-03, Vol.402

2022

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Atomic-Scale Structure and Catalysis on Positively Charged Bimetallic Sites for Generation of H 2

Nano letters, 2020-09, Vol.20 (9), p.6255-6262

2020

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Rationale for the Higher Reactivity of Interfacial Sites in Methanol Decomposition on Au 13 /TiO 2 (110)

Journal of the American Chemical Society, 2013-05, Vol.135 (20), p.7629-7635

2013

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Geometric and electronic structure and magnetic properties of Fe-Au nanoalloys: insights from ab initio calculations

Physical chemistry chemical physics : PCCP, 2015-01, Vol.17 (42), p.28177-28185

2015

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High Catalytic Activity of Pd1/ZnO(101̅0) toward Methanol Partial Oxidation: A DFT+KMC Study

ACS catalysis, 2018-06, Vol.8 (6), p.5553-5569

2018

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Atomic-Scale Structure and Catalysis on Positively Charged Bimetallic Sites for Generation of H2

Nano letters, 2020-09, Vol.20 (9), p.6255-6262

2020

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Adsorption, diffusion, and vibration of oxygen on Ag ( 110 )

Physical review. B, Condensed matter and materials physics, 2015-07, Vol.92 (3), Article 035444

2015

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Selective oxidation of ammonia on RuO2(110): A combined DFT and KMC study

Journal of catalysis, 2010-12, Vol.276 (2), p.371-381

2010

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Adatom Extraction from Pristine Metal Terraces by Dissociative Oxygen Adsorption: Combined STM and Density Functional Theory Investigation of O/Ag(110)

Physical review letters, 2017-06, Vol.118 (22), p.226101-226101, Article 226101

2017

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Deactivation of Cu2O(100) by CO Poisoning

Topics in catalysis, 2013-08, Vol.56 (12), p.1082-1087

2013

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Combined Density Functional Theory and Kinetic Monte Carlo Study of Selective Oxidation of NH3 on Rutile RuO2(110) at Ambient Pressures

Journal of physical chemistry. C, 2014-03, Vol.118 (10), p.5226-5238

2014

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Adatom Extraction from Pristine Metal Terraces by Dissociative Oxygen Adsorption: Combined STM and Density Functional Theory Investigation of O/Ag(110)

Physical review letters, 2017-06, Vol.118 (22)

2017

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Combined Density Functional Theory and Kinetic Monte Carlo Study of Selective Oxidation of NH 3 on Rutile RuO 2 (110) at Ambient Pressures

Journal of physical chemistry. C, 2014-03, Vol.118 (10), p.5226-5238

2014

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Fine-tuned local coordination environment of Pt single atoms on ceria controls catalytic reactivity

Rationale for the Higher Reactivity of Interfacial Sites in Methanol Decomposition on Au13/TiO2(110)

Effect of Ligands on the Geometric and Electronic Structure of Au13 Clusters

Structural and Electronic Properties of Micellar Au Nanoparticles: Size and Ligand Effects

Rate-Determining Steps in CO Oxidation on Pt Single Atom Sites on CeO 2 Surfaces

Rate-Determining Steps in CO Oxidation on Pt Single Atom Sites on CeO2 Surfaces

Effect of surface acidity modulation on Pt/Al2O3 single atom catalyst for carbon monoxide oxidation and methanol decomposition

Effects of γ-Al 2 O 3 Support on the Morphology and Electronic Structure of Pt Nanoparticles

Effect of Ligands on the Geometric and Electronic Structure of Au 13 Clusters

H-Atom Position as Pattern-Determining Factor in Arenethiol Films

Effects of γ‑Al2O3 Support on the Morphology and Electronic Structure of Pt Nanoparticles

Adsorption and diffusion of hydrogen on Pd(211) and Pd(111): Results from first-principles electronic structure calculations

Effect of surface acidity modulation on Pt/Al2O3 single atom catalyst for carbon monoxide oxidation and methanol decomposition

Atomic-Scale Structure and Catalysis on Positively Charged Bimetallic Sites for Generation of H 2

Rationale for the Higher Reactivity of Interfacial Sites in Methanol Decomposition on Au 13 /TiO 2 (110)

Geometric and electronic structure and magnetic properties of Fe-Au nanoalloys: insights from ab initio calculations

High Catalytic Activity of Pd1/ZnO(101̅0) toward Methanol Partial Oxidation: A DFT+KMC Study

Atomic-Scale Structure and Catalysis on Positively Charged Bimetallic Sites for Generation of H2

Adsorption, diffusion, and vibration of oxygen on Ag ( 110 )

Selective oxidation of ammonia on RuO2(110): A combined DFT and KMC study

Adatom Extraction from Pristine Metal Terraces by Dissociative Oxygen Adsorption: Combined STM and Density Functional Theory Investigation of O/Ag(110)

Deactivation of Cu2O(100) by CO Poisoning

Combined Density Functional Theory and Kinetic Monte Carlo Study of Selective Oxidation of NH3 on Rutile RuO2(110) at Ambient Pressures

Adatom Extraction from Pristine Metal Terraces by Dissociative Oxygen Adsorption: Combined STM and Density Functional Theory Investigation of O/Ag(110)

Combined Density Functional Theory and Kinetic Monte Carlo Study of Selective Oxidation of NH 3 on Rutile RuO 2 (110) at Ambient Pressures

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