Research graph
References from An Element-Based Generalized Coordination Number for Predicting the Oxygen Binding Energy on Pt3M (M = Co, Ni, or Cu) Alloy Nanoparticles. Local targets link to admitted publications; unresolved targets remain external evidence.
CO Chemisorption at Metal Surfaces and Overlayers
10.1103/physrevlett.76.2141 · 1996 · External reference
Role of Strain and Ligand Effects in the Modification of the Electronic and Chemical Properties of Bimetallic Surfaces
10.1103/physrevlett.93.156801 · 2004 · External reference
Ligand and Ensemble Effects in Adsorption on Alloy Surfaces
10.1039/b103525h · 2001 · External reference
Predicting the Adsorption Behavior in Bulk from Metal Clusters
10.1016/j.cplett.2011.11.004 · 2011 · External reference
A General Scheme for the Estimation of Oxygen Binding Energies on Binary Transition Metal Surface Alloys
10.1016/j.susc.2005.07.018 · 2005 · External reference
Effects of Electronic Structure Modifications on the Adsorption of Oxygen Reduction Reaction Intermediates on Model Pt(111)–Alloy Surfaces
10.1021/jp075108g · 2007 · External reference
Tuning Catalytic Properties of Bimetallic Surfaces: Oxygen Adsorption on Pseudomorphic Pt/Ru Overlayers
10.1016/j.electacta.2006.03.113 · 2007 · External reference
Correlating Hydrogenation Activity with Binding Energies of Hydrogen and Cyclohexene on M/Pt(111) (M = Fe, Co, Ni, Cu) Bimetallic Surfaces
10.1016/j.jcat.2008.05.013 · 2008 · External reference
Changing the Activity of Electrocatalysts for Oxygen Reduction by Tuning the Surface Electronic Structure
10.1002/anie.200504386 · 2006 · External reference
Alloys of Platinum and Early Transition Metals as Oxygen Reduction Electrocatalysts
10.1038/nchem.367 · 2009 · External reference
Origin of the Overpotential for Oxygen Reduction at a Fuel-Cell Cathode
10.1021/jp047349j · 2004 · External reference
Adsorption CO on Low-Energy, Low-Symmetry Pt Nanoparticles: Energy Decomposition Analysis and Prediction via Machine-Learning Models
10.1021/acs.jpcc.6b12800 · 2017 · External reference
High-Throughput Screening of Bimetallic Catalysts Enabled by Machine Learning
10.1039/c7ta01812f · 2017 · External reference
Unfolding Adsorption on Metal Nanoparticles: Connecting Stability with Catalysis
10.1126/sciadv.aax5101 · 2019 · External reference
NO Adsorption on 4d and 5d Transition-Metal (Rh, Pd, Ag, Ir, and Pt) Nanoparticles: Density Functional Theory Study and Supervised Learning
10.1021/acs.jpcc.9b05748 · 2019 · External reference
Computational Challenges of Large-Scale Long-Time First-Principles Molecular Dynamics
10.1088/1742-6596/125/1/012058 · 2008 · External reference
Electrocatalysis on Platinum Nanoparticles: Particle Size Effect on Oxygen Reduction Reaction Activity
10.1021/nl2017459 · 2011 · External reference
A Variational Method for Density Functional Theory Calculations on Metallic Systems with Thousands of Atoms
10.1063/1.4817001 · 2013 · External reference
Investigation of Catalytic Finite-Size-Effects of Platinum Metal Clusters
10.1021/jz3018286 · 2013 · External reference
Competition between Icosahedral Motifs in AgCu, AgNi, and AgCo Nanoalloys: A Combined Atomistic–DFT Study
10.1021/jp410379u · 2013 · External reference
Surface Tension Effects on the Reactivity of Metal Nanoparticles
10.1021/acs.jpclett.5b01746 · 2015 · External reference
Active Sites of Au and Ag Nanoparticle Catalysts for CO2 Electroreduction to CO
10.1021/acscatal.5b00462 · 2015 · External reference
Electronic Structure and Phase Stability of PdPt Nanoparticles
10.1021/acs.jpclett.5b02753 · 2016 · External reference
Predicting the Oxygen-Binding Properties of Platinum Nanoparticle Ensembles by Combining High-Precision Electron Microscopy and Density Functional Theory
10.1021/acs.nanolett.6b04799 · 2017 · External reference
Structural Stability of Ruthenium Nanoparticles: A Density Functional Theory Study
10.1021/acs.jpcc.7b08672 · 2017 · External reference
Atomic-Resolution Imaging of Surface and Core Melting in Individual Size-Selected Au Nanoclusters on Carbon
10.1038/s41467-019-10713-z · 2019 · External reference
Structure Engineering of Cu-Based Nanoparticles for Electrochemical Reduction of CO2
10.1016/j.jcat.2019.05.035 · 2019 · External reference
Atom-Projected and Angular Momentum Resolved Density of States in the ONETEP Code
10.1088/2516-1075/ab34f5 · 2019 · External reference
Modification of O and CO Binding on Pt Nanoparticles due to Electronic and Structural Effects of Titania Supports
10.1063/1.5120571 · 2019 · External reference
The Effect of SnO2(110) Supports on the Geometrical and Electronic Properties of Platinum Nanoparticles
10.1007/s42452-019-1478-0 · 2019 · External reference
Towards a Morphology of Cobalt Nanoparticles: Size and Strain Effects
10.1088/1361-6528/ab6fe0 · 2020 · External reference
Fast Prediction of Adsorption Properties for Platinum Nanocatalysts with Generalized Coordination Numbers
10.1002/anie.201402958 · 2014 · External reference
Understanding Adsorption-Induced Effects on Platinum Nanoparticles: An Energy-Decomposition Analysis
10.1021/jz501263e · 2014 · External reference
Generalized Surface Coordination Number as Activity Descriptors for CO2 Reduction on Cu Surfaces
10.1021/acs.jpcc.6b10155 · 2016 · External reference
Adsorption and Activation of Water on Cuboctahedral Rhodium and Platinum Nanoparticles
10.1021/acs.jpcc.6b11953 · 2017 · External reference
Oxygen Reduction Reaction: Rapid Prediction of Mass Activity of Nanostructured Platinum Electrocatalysts
10.1021/acs.jpclett.8b01864 · 2018 · External reference
Temperature Dependence of Oxygen Reduction Activity at Pt–Fe, Pt–Co, and Pt–Ni Alloy Electrodes
10.1021/jp046204+ · 2005 · External reference
Design and Synthesis of Bimetallic Electrocatalyst with Multilayered Pt-Skin Surfaces
10.1021/ja2047655 · 2011 · External reference
Highly Durable and Active PtCo Alloy/Graphitized Carbon Black Cathode Catalysts by Controlled Deposition of Stabilized Pt Skin Layers
10.1149/2.0331606jes · 2016 · External reference
A General Approach to the Size- and Shape-Controlled Synthesis of Platinum Nanoparticles and Their Catalytic Reduction of Oxygen
10.1002/anie.200800073 · 2008 · External reference
Truncated Octahedral Pt3Ni Oxygen Reduction Reaction Electrocatalysts
10.1021/ja100571h · 2010 · External reference
Synthesis and Oxygen Reduction Activity of Shape-Controlled Pt3Ni Nanopolyhedra
10.1021/nl903717z · 2010 · External reference
Shape and Composition-Controlled Platinum Alloy Nanocrystals Using Carbon Monoxide as Reducing Agent
10.1021/nl104094p · 2011 · External reference
Segregation and Stability at Pt3Ni(111) Surfaces and Pt75Ni25 Nanoparticles
10.1016/j.electacta.2007.11.063 · 2008 · External reference
Wetting Induced Oxidation of Pt-Based Nano Catalysts Revealed by In Situ High Energy Resolution X-ray Absorption Spectroscopy
10.1038/s41598-017-00639-1 · 2017 · External reference
Revealing Surface Elemental Composition and Dynamic Processes Involved in Facet-Dependent Oxidation of Pt3Co Nanoparticles via in Situ Transmission Electron Microscopy
10.1021/acs.nanolett.7b01325 · 2017 · External reference
Adsorption and Dissociation of O2 on Pt–Co and Pt–Fe Alloys
10.1021/ja031701+ · 2004 · External reference
Oxygen Hydration Mechanism for the Oxygen Reduction Reaction at Pt and Pd Fuel Cell Catalysts
10.1021/jz101753e · 2011 · External reference
A First-Principles Study of Oxygen Reduction Reaction on a Pt(111) Surface Modified by a Subsurface Transition Metal M (M = Ni, Co, or Fe)
10.1039/c1cp21687b · 2011 · External reference
Comparative Study of Oxygen Reduction Reaction Mechanisms on the Pd(111) and Pt(111) Surfaces in Acid Medium by DFT
10.1021/jp309094b · 2013 · External reference
The Oxygen Reduction Reaction on Pt(111) and Pt(100) Surfaces Substituted by Subsurface Cu: A Theoretical Perspective
10.1039/c5ta01017a · 2015 · External reference
Computational Screening for ORR Activity of 3d Transition Metal Based M@Pt Core–Shell Clusters
10.1021/acs.jpcc.8b11483 · 2019 · External reference
Finding Optimal Surface Sites on Heterogeneous Catalysts by Counting Nearest Neighbors
10.1126/science.aab3501 · 2015 · External reference
Why Conclusions from Platinum Model Surfaces Do Not Necessarily Lead to Enhanced Nanoparticle Catalysts for the Oxygen Reduction Reaction
10.1039/c6sc04788b · 2017 · External reference
Fast Identification of Optimal Pure Platinum Nanoparticles Shapes and Sizes for Efficient Oxygen Electroreduction
10.1039/c9na00252a · 2019 · External reference
Enabling Generalized Coordination Numbers to Describe Strain Effects
10.1002/cssc.201800569 · 2018 · External reference
Oxygen Reduction Reaction Activities of Strained Platinum Core–Shell Electrocatalysts Predicted by Machine Learning
10.1021/acs.jpclett.0c00214 · 2020 · External reference
Platinum-Based Nanoalloys PtnTM55–n (TM = Co, Rh, Au): A Density Functional Theory Investigation
10.1021/jp302844f · 2012 · External reference
Structure, Electronic and Magnetic Properties of Binary PtnTM55–n (TM = Fe, Co, Ni, Cu Zn) Nanoclusters: A Density Functional Theory Investigation
10.1021/acs.jpcc.5b02242 · 2015 · External reference
Electronic Structure and Phase Stability of Pt3M (M = Co, Ni, or Cu) Bimetallic Nanoparticles
10.1016/j.commatsci.2020.109874 · 2020 · External reference
An Approximate Theory of Order in Alloys
10.1103/physrev.77.669 · 1950 · External reference
Oxygen Chemisorption on Au Nanoparticles
10.1016/s0009-2614(03)00725-5 · 2003 · External reference
Structural and Electronic Properties of Chemisorbed Oxygen on Rh(111)
10.1103/physrevb.59.15533 · 1999 · External reference
Structural and Electronic Properties of Atomic Oxygen Adsorption on Pt(111): A Density-Functional Theory Study
10.1016/j.apsusc.2010.10.114 · 2011 · External reference
Effect of Particle Size and Surface Structure on Adsorption of O and OH on Platinum Nanoparticles: A First-Principles Study
10.1103/physrevb.77.075410 · 2008 · External reference
An Investigation of Structure–Catalytic Activity Relationship for Pt–Co/C Bimetallic Nanoparticles toward the Oxygen Reduction Reaction
10.1021/jp072681r · 2007 · External reference
Structural and Architectural Evaluation of Bimetallic Nanoparticles: A Case Study of Pt–Ru Core–Shell and Alloy Nanoparticles
10.1021/nn900242v · 2009 · External reference
DFT Calculation Analysis of Oxygen Reduction Reaction Activity and Stability of Bimetallic Catalysts with Pt-Segregated Surface
10.1007/s11426-015-5324-y · 2015 · External reference
First-Principles Study on Surface Structure, Thickness, and Composition Dependence of the Stability of Pt-Skin/Pt3Co Oxygen-Deduction Reaction Catalysts
10.1016/j.jpowsour.2013.09.013 · 2014 · External reference
Efficient Iterative Schemes for Ab Initio Total Energy Calculations Using a Plane-Wave Basis Set
10.1103/physrevb.54.11169 · 1996 · External reference
Efficiency of Ab Initio Total Energy Calculations for Metals and Semiconductors Using a Plane-Wave Basis Set
10.1016/0927-0256(96)00008-0 · 1996 · External reference
Generalized Gradient Approximation Made Simple
10.1103/physrevlett.77.3865 · 1996 · External reference
Projector Augmented Wave Method
10.1103/physrevb.50.17953 · 1994 · External reference
From Ultrafast Pseudopotentials to the Projector Augmented Wave Method
10.1103/physrevb.59.1758 · 1999 · External reference
