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Unique Electrochemical Adsorption Properties of Pt-Skin Surfaces

Angewandte Chemie International Edition, 2012-03, Vol.51 (13), p.3139-3142

International ed. in English, 2012

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Progress, Opportunities, and Challenges for Applying Atomically Detailed Modeling to Molecular Adsorption and Transport in Metal−Organic Framework Materials

Industrial & engineering chemistry research, 2009-03, Vol.48 (5), p.2355-2371

2009

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Effects of surface structure and halogen substitution on electronic charge transfer in adlayers of (BETS)2-GaCl4 on silver surfaces

Surface science, 2019-09, Vol.687, p.34-40

2019

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Similarities and differences for atomic and diatomic molecule adsorption on the B-5 type sites of the HCP(101̅6) surfaces of Co, Os, and Ru from DFT calculations

Heliyon, 2019-06, Vol.5 (6), p.e01924-e01924, Article e01924

Rankin, Rees B

2019

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Size, Composition, and Support-Doping Effects on Oxygen Reduction Activity of Platinum-Alloy and on Non-platinum Metal-Decorated-Graphene Nanocatalysts

Frontiers in chemistry, 2019-09, Vol.7, p.610-610

2019

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Adsorption Energy Shifts for Oxygen and Hydroxyl on 4-atom Metal-Decorated Graphene Catalysts Via Solvation, pH, and Substrate Dopants: Effects on ORR Activity

Metals (Basel ), 2019-02, Vol.9 (2), p.227

2019

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Structures of Glycine, Enantiopure Alanine, and Racemic Alanine Adlayers on Cu(110) and Cu(100) Surfaces

The journal of physical chemistry. B, 2005-09, Vol.109 (35), p.16764-16773

2005

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Elucidation of Pathways for NO Electroreduction on Pt(111) from First Principles

Angewandte Chemie International Edition, 2015-07, Vol.54 (28), p.8255-8258

International ed. in English, 2015

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Computational predictive design for metal-decorated-graphene size-specific subnanometer to nanometer ORR catalysts

Catalysis today, 2018-08, Vol.312, p.105-117

2018

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Trends in Selective Hydrogen Peroxide Production on Transition Metal Surfaces from First Principles

ACS catalysis, 2012-12, Vol.2 (12), p.2664-2672

2012

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Computational screening of transition metal/p‐block hybrid electrocatalysts for CO2 reduction

Journal of computational chemistry, 2020-05, Vol.41 (14), p.1384-1394

2020

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Computational Screening for Developing Optimal Intermetallic Transition Metal Pt-Based ORR Catalysts at the Predictive Volcano Peak

Journal of physical chemistry. C, 2019-05, Vol.123 (21), p.13236-13245

2019

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Computational screening of transition metal/p-block hybrid electrocatalysts for CO 2 reduction

Journal of computational chemistry, 2020-05, Vol.41 (14), p.1384-1394

2020

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Structure of enantiopure and racemic alanine adlayers on Cu(1 1 0)

Surface science, 2005, Vol.574 (1), p.L1-L8

2005

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Assessment of heterochiral and homochiral glycine adlayers on Cu(1 1 0) using density functional theory

Surface science, 2004, Vol.548 (1), p.301-308

2004

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Adsorption and Diffusion of Light Gases in ZIF-68 and ZIF-70: A Simulation Study

Journal of physical chemistry. C, 2009-10, Vol.113 (39), p.16906-16914

2009

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Rational Development of Ternary Alloy Electrocatalysts

The journal of physical chemistry letters, 2012-06, Vol.3 (12), p.1668-1673

2012

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Graphene Supported Tungsten Carbide as Catalyst for Electrochemical Reduction of CO2

Catalysts, 2019-07, Vol.9 (7), p.604

2019

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Trends in methanol decomposition on transition metal alloy clusters from scaling and Brønsted-Evans-Polanyi relationships

Physical chemistry chemical physics : PCCP, 2012-06, Vol.14 (24), p.8644-8652

2012

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Inside Back Cover: Elucidation of Pathways for NO Electroreduction on Pt(111) from First Principles (Angew. Chem. Int. Ed. 28/2015)

Angewandte Chemie International Edition, 2015-07, Vol.54 (28), p.8299-8299

International ed. in English, 2015

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First-principles studies of chiral step reconstructions of Cu(100)by adsorbed glycine and alanine

The Journal of chemical physics, 2006-02, Vol.124 (7), p.074703-074703-6

2006

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Structures of Dense Glycine and Alanine Adlayers on Chiral Cu(3,1,17) Surfaces

Langmuir, 2006-09, Vol.22 (19), p.8096-8103

2006

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Amino Acid Immobilization of Copper Surface Diffusion on Cu(111)

Advanced materials interfaces, 2019-04, Vol.6 (7), p.n/a

2019

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Tracking Amino Acids in Chiral Quantum Corrals

Journal of physical chemistry. C, 2013-06, Vol.117 (22), p.11757-11763

2013

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Surface reactions of AsH3, H2Se, and H2S on the Zn2TiO4(010) surface

Surface science, 2011-04, Vol.605 (7-8), p.818-823

2011

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Unique Electrochemical Adsorption Properties of Pt-Skin Surfaces

Progress, Opportunities, and Challenges for Applying Atomically Detailed Modeling to Molecular Adsorption and Transport in Metal−Organic Framework Materials

Effects of surface structure and halogen substitution on electronic charge transfer in adlayers of (BETS)2-GaCl4 on silver surfaces

Similarities and differences for atomic and diatomic molecule adsorption on the B-5 type sites of the HCP(101̅6) surfaces of Co, Os, and Ru from DFT calculations

Size, Composition, and Support-Doping Effects on Oxygen Reduction Activity of Platinum-Alloy and on Non-platinum Metal-Decorated-Graphene Nanocatalysts

Adsorption Energy Shifts for Oxygen and Hydroxyl on 4-atom Metal-Decorated Graphene Catalysts Via Solvation, pH, and Substrate Dopants: Effects on ORR Activity

Structures of Glycine, Enantiopure Alanine, and Racemic Alanine Adlayers on Cu(110) and Cu(100) Surfaces

Elucidation of Pathways for NO Electroreduction on Pt(111) from First Principles

Computational predictive design for metal-decorated-graphene size-specific subnanometer to nanometer ORR catalysts

Trends in Selective Hydrogen Peroxide Production on Transition Metal Surfaces from First Principles

Computational screening of transition metal/p‐block hybrid electrocatalysts for CO2 reduction

Computational Screening for Developing Optimal Intermetallic Transition Metal Pt-Based ORR Catalysts at the Predictive Volcano Peak

Computational screening of transition metal/p-block hybrid electrocatalysts for CO 2 reduction

Structure of enantiopure and racemic alanine adlayers on Cu(1 1 0)

Assessment of heterochiral and homochiral glycine adlayers on Cu(1 1 0) using density functional theory

Adsorption and Diffusion of Light Gases in ZIF-68 and ZIF-70: A Simulation Study

Rational Development of Ternary Alloy Electrocatalysts

Graphene Supported Tungsten Carbide as Catalyst for Electrochemical Reduction of CO2

Trends in methanol decomposition on transition metal alloy clusters from scaling and Brønsted-Evans-Polanyi relationships

Inside Back Cover: Elucidation of Pathways for NO Electroreduction on Pt(111) from First Principles (Angew. Chem. Int. Ed. 28/2015)

First-principles studies of chiral step reconstructions of Cu(100)by adsorbed glycine and alanine

Structures of Dense Glycine and Alanine Adlayers on Chiral Cu(3,1,17) Surfaces

Amino Acid Immobilization of Copper Surface Diffusion on Cu(111)

Tracking Amino Acids in Chiral Quantum Corrals

Surface reactions of AsH3, H2Se, and H2S on the Zn2TiO4(010) surface

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