# | Title | Journal | Year | Citations |
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1 | Origin of the Overpotential for Oxygen Reduction at a Fuel-Cell Cathode | Journal of Physical Chemistry B | 2004 | 8,672 |
2 | Combining theory and experiment in electrocatalysis: Insights into materials design | Science | 2017 | 7,837 |
3 | Identification of Active Edge Sites for Electrochemical H 2 Evolution from MoS 2 Nanocatalysts | Science | 2007 | 5,149 |
4 | Trends in the Exchange Current for Hydrogen Evolution | Journal of the Electrochemical Society | 2005 | 4,054 |
5 | Biomimetic Hydrogen Evolution: MoS2Nanoparticles as Catalyst for Hydrogen Evolution | Journal of the American Chemical Society | 2005 | 3,497 |
6 | Computational high-throughput screening of electrocatalytic materials for hydrogen evolution | Nature Materials | 2006 | 3,305 |
7 | Universality in Oxygen Evolution Electrocatalysis on Oxide Surfaces | ChemCatChem | 2011 | 3,208 |
8 | Towards the computational design of solid catalysts | Nature Chemistry | 2009 | 3,184 |
9 | Alloys of platinum and early transition metals as oxygen reduction electrocatalysts | Nature Chemistry | 2009 | 2,716 |
10 | Progress and Perspectives of Electrochemical CO2 Reduction on Copper in Aqueous Electrolyte | Chemical Reviews | 2019 | 2,708 |
11 | How copper catalyzes the electroreduction of carbon dioxide into hydrocarbon fuels | Energy and Environmental Science | 2010 | 2,682 |
12 | The surface energy of metals | Surface Science | 1998 | 2,342 |
13 | Electrolysis of water on oxide surfaces | Journal of Electroanalytical Chemistry | 2007 | 2,277 |
14 | Effect of Strain on the Reactivity of Metal Surfaces | Physical Review Letters | 1998 | 2,001 |
15 | The atomic simulation environment—a Python library for working with atoms | Journal of Physics Condensed Matter | 2017 | 1,933 |
16 | Changing the Activity of Electrocatalysts for Oxygen Reduction by Tuning the Surface Electronic Structure | Angewandte Chemie - International Edition | 2006 | 1,685 |
17 | Density functional theory in surface chemistry and catalysis | Proceedings of the National Academy of Sciences of the United States of America | 2011 | 1,644 |
18 | Softening of nanocrystalline metals at very small grain sizes | Nature | 1998 | 1,558 |
19 | Electronic structure calculations with GPAW: a real-space implementation of the projector augmented-wave method | Journal of Physics Condensed Matter | 2010 | 1,451 |
20 | Electrolysis of water on (oxidized) metal surfaces | Chemical Physics | 2005 | 1,383 |
21 | Atomic-scale imaging of carbon nanofibre growth | Nature | 2004 | 1,318 |
22 | A Maximum in the Strength of Nanocrystalline Copper | Science | 2003 | 1,296 |
23 | Scaling Properties of Adsorption Energies for Hydrogen-Containing Molecules on Transition-Metal Surfaces | Physical Review Letters | 2007 | 1,270 |
24 | Molybdenum sulfides—efficient and viable materials for electro - and photoelectrocatalytic hydrogen evolution | Energy and Environmental Science | 2012 | 1,225 |
25 | Role of Strain and Ligand Effects in the Modification of the Electronic and Chemical Properties of Bimetallic Surfaces | Physical Review Letters | 2004 | 1,224 |
26 | A theoretical evaluation of possible transition metal electro-catalysts for N2reduction | Physical Chemistry Chemical Physics | 2012 | 1,184 |
27 | Universality in Heterogeneous Catalysis | Journal of Catalysis | 2002 | 1,167 |
28 | Surface electronic structure and reactivity of transition and noble metals1Communication presented at the First Francqui Colloquium, Brussels, 19–20 February 1996.1 | Journal of Molecular Catalysis A | 1997 | 1,166 |
29 | Nudged elastic band method for finding minimum energy paths of transitions | | 1998 | 1,161 |
30 | Reproducibility in density functional theory calculations of solids | Science | 2016 | 1,113 |
31 | Ammonia Synthesis from First-Principles Calculations | Science | 2005 | 1,109 |
32 | Density functionals for surface science: Exchange-correlation model development with Bayesian error estimation | Physical Review B | 2012 | 1,087 |
33 | n-type single-layer MoS2from first principles">Phonon-limited mobility inn-type single-layer MoS2from first principles | Physical Review B | 2012 | 1,033 |
34 | Enabling direct H2O2 production through rational electrocatalyst design | Nature Materials | 2013 | 1,031 |
35 | Catalytic activity of Au nanoparticles | Nano Today | 2007 | 1,025 |
36 | A rigorous electrochemical ammonia synthesis protocol with quantitative isotope measurements | Nature | 2019 | 1,006 |
37 | Understanding the electrocatalysis of oxygen reduction on platinum and its alloys | Energy and Environmental Science | 2012 | 991 |
38 | Identification of Non-Precious Metal Alloy Catalysts for Selective Hydrogenation of Acetylene | Science | 2008 | 984 |
39 | Steam Reforming and Graphite Formation on Ni Catalysts | Journal of Catalysis | 2002 | 980 |
40 | Ammonia for hydrogen storage: challenges and opportunities | Journal of Materials Chemistry | 2008 | 966 |
41 | Direction-Specific Interactions Control Crystal Growth by Oriented Attachment | Science | 2012 | 958 |
42 | Direct observation of competition between superconductivity and charge density wave order in YBa2Cu3O6.67 | Nature Physics | 2012 | 924 |
43 | Surface segregation energies in transition-metal alloys | Physical Review B | 1999 | 902 |
44 | WinXCom—a program for calculating X-ray attenuation coefficients | Radiation Physics and Chemistry | 2004 | 890 |
45 | Discovery of a Ni-Ga catalyst for carbon dioxide reduction to methanol | Nature Chemistry | 2014 | 865 |
46 | Advances in quantum cryptography | Advances in Optics and Photonics | 2020 | 848 |
47 | Layered Nanojunctions for Hydrogen‐Evolution Catalysis | Angewandte Chemie - International Edition | 2013 | 793 |
48 | Tuning the activity of Pt alloy electrocatalysts by means of the lanthanide contraction | Science | 2016 | 783 |
49 | Considerations for the scaling-up of water splitting catalysts | Nature Energy | 2019 | 759 |
50 | Hydrogen evolution on nano-particulate transition metal sulfides | Faraday Discussions | 2008 | 732 |