The Challenge of Electrochemical Ammonia Synthesis: A New Perspective on the Role of Nitrogen Scaling Relations

Challenges in reduction of dinitrogen by proton and electron transfer

(2014) Cornelis J. M. van der Ham et al.   CHEMICAL SOCIETY REVIEWS

Trends in electrochemical CO2 reduction activity for open and close-packed metal surfaces

(2014) Chuan Shi et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

First-principles thermodynamic screening approach to photo-catalytic water splitting with co-catalysts

(2013) Harald Oberhofer et al.   JOURNAL OF CHEMICAL PHYSICS

Review of Pt-Based Bimetallic Catalysis: From Model Surfaces to Supported Catalysts

(2012) Weiting Yu et al.   CHEMICAL REVIEWS

Methanol Oxidation on Model Elemental and Bimetallic Transition Metal Surfaces

(2012) G. A. Tritsaris et al.   Journal of Physical Chemistry C

Activity Descriptors for CO2 Electroreduction to Methane on Transition-Metal Catalysts

(2012) Andrew A. Peterson et al.   Journal of Physical Chemistry Letters

Density functionals for surface science: Exchange-correlation model development with Bayesian error estimation

(2012) Jess Wellendorff et al.   PHYSICAL REVIEW B

Universality in Oxygen Reduction Electrocatalysis on Metal Surfaces

(2012) Venkatasubramanian Viswanathan et al.   ACS Catalysis

Universality in Oxygen Evolution Electrocatalysis on Oxide Surfaces

(2011) Isabela C. Man et al.   ChemCatChem

A theoretical evaluation of possible transition metal electro-catalysts for N2reduction

(2011) Egill Skúlason et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Ionic Liquid-Mediated Selective Conversion of CO2 to CO at Low Overpotentials

(2011) B. A. Rosen et al.   SCIENCE

N2 Reduction and Hydrogenation to Ammonia by a Molecular Iron-Potassium Complex

(2011) M. M. Rodriguez et al.   SCIENCE

The oxygen reduction reaction mechanism on Pt(111) from density functional theory calculations

(2010) Vladimir Tripković et al.   ELECTROCHIMICA ACTA

How copper catalyzes the electroreduction of carbon dioxide into hydrocarbon fuels

(2010) Andrew A. Peterson et al.   Energy & Environmental Science

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

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

How a century of ammonia synthesis changed the world

(2008) Jan Willem Erisman et al.   Nature Geoscience