Free-atom-like d states in single-atom alloy catalysts

Investigating the Reactivity of Single Atom Alloys Using Density Functional Theory

(2018) Hari Thirumalai et al.   TOPICS IN CATALYSIS

Phase Coexistence of Multiple Copper Oxides on AgCu Catalysts during Ethylene Epoxidation

(2018) Mark T. Greiner et al.   ACS Catalysis

Supported liquid metal catalysts: Popping up to the surface

(2017) Günther Rupprechter   Nature Chemistry

Gallium-rich Pd–Ga phases as supported liquid metal catalysts

(2017) N. Taccardi et al.   Nature Chemistry

Tackling CO Poisoning with Single-Atom Alloy Catalysts

(2016) Jilei Liu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

From the Sabatier principle to a predictive theory of transition-metal heterogeneous catalysis

(2015) Andrew J. Medford et al.   JOURNAL OF CATALYSIS

The oxidation of copper catalysts during ethylene epoxidation

(2015) M. T. Greiner et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Thermodynamic and spectroscopic properties of oxygen on silver under an oxygen atmosphere

(2015) Travis E. Jones et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

New design paradigm for heterogeneous catalysts

(2015) Aleksandra Vojvodic et al.   National Science Review

Review of methanol reforming-Cu-based catalysts, surface reaction mechanisms, and reaction schemes

(2013) S.T. Yong et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Understanding Trends in the Electrocatalytic Activity of Metals and Enzymes for CO2 Reduction to CO

(2013) Heine A. Hansen et al.   Journal of Physical Chemistry Letters

The interpretation of XPS spectra: Insights into materials properties

(2013) Paul S. Bagus et al.   SURFACE SCIENCE REPORTS

Electronic Structure Effects in Transition Metal Surface Chemistry

(2013) A. Vojvodic et al.   TOPICS IN CATALYSIS

Transition Metal Oxide Work Functions: The Influence of Cation Oxidation State and Oxygen Vacancies

(2012) Mark T. Greiner et al.   ADVANCED FUNCTIONAL MATERIALS

Ab initioBethe-Salpeter calculations of the x-ray absorption spectra of transition metals at theL-shell edges

(2012) J. Vinson et al.   PHYSICAL REVIEW B

Isolated Metal Atom Geometries as a Strategy for Selective Heterogeneous Hydrogenations

(2012) Georgios Kyriakou et al.   SCIENCE

Universality in Oxygen Evolution Electrocatalysis on Oxide Surfaces

(2011) Isabela C. Man et al.   ChemCatChem

Bethe-Salpeter equation calculations of core excitation spectra

(2011) J. Vinson et al.   PHYSICAL REVIEW B

An Atomic-Scale View of Palladium Alloys and their Ability to Dissociate Molecular Hydrogen

(2010) Ashleigh E. Baber et al.   ChemCatChem

QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials

(2009) Paolo Giannozzi et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Hydrogen Dissociation and Spillover on Individual Isolated Palladium Atoms

(2009) Heather L. Tierney et al.   PHYSICAL REVIEW LETTERS

Identification of Non-Precious Metal Alloy Catalysts for Selective Hydrogenation of Acetylene

(2008) F. Studt et al.   SCIENCE