Elementary kinetics of nitrogen electroreduction on Fe surfaces

Beyond fossil fuel–driven nitrogen transformations

(2018) Jingguang G. Chen et al.   SCIENCE

Electrochemical Acceleration of Ammonia Synthesis on Fe-Based Alkali-Promoted Electrocatalyst with Proton Conducting Solid Electrolyte

(2017) Fumihiko Kosaka et al.   ACS Sustainable Chemistry & Engineering

Theoretical insight on reactivity trends in CO2 electroreduction across transition metals

(2016) Sneha A. Akhade et al.   Catalysis Science & Technology

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

(2015) Joseph H. Montoya et al.   ChemSusChem

Reaction mechanisms of CO2 electrochemical reduction on Cu(111) determined with density functional theory

(2014) Xiaowa Nie et al.   JOURNAL OF CATALYSIS

Selectivity of CO2Reduction on Copper Electrodes: The Role of the Kinetics of Elementary Steps

(2013) Xiaowa Nie et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

First-principles based microkinetic modeling of borohydride oxidation on a Au(111) electrode

(2011) Gholamreza Rostamikia et al.   JOURNAL OF POWER SOURCES

Universal transition state scaling relations for (de)hydrogenation over transition metals

(2011) S. Wang et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

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

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

Ozone Oxidation of Single Walled Carbon Nanotubes from Density Functional Theory

(2009) Wai-Leung Yim et al.   Journal of Physical Chemistry C

Activation of an Alkyl C−H Bond Geminal to an Agostic Interaction: An Unusual Mode of Base-Induced C−H Activation

(2009) L. Jonas L. Häller et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Superlinearly converging dimer method for transition state search

(2008) Johannes Kästner et al.   JOURNAL OF CHEMICAL PHYSICS

Ammonia for hydrogen storage: challenges and opportunities

(2008) Asbjørn Klerke et al.   JOURNAL OF MATERIALS CHEMISTRY

How a century of ammonia synthesis changed the world

(2008) Jan Willem Erisman et al.   Nature Geoscience