Can boron antisites of BNNTs be an efficient metal-free catalyst for nitrogen fixation? – A DFT investigation

Proton-coupled electron transfer in the electrocatalysis of CO2 reduction: prediction of sequential vs. concerted pathways using DFT

(2017) Adrien J. Göttle et al.   Chemical Science

Interplay between Theory and Experiment for Ammonia Synthesis Catalyzed by Transition Metal Complexes

(2016) Hiromasa Tanaka et al.   ACCOUNTS OF CHEMICAL RESEARCH

High-Yield Production of Boron Nitride Nanosheets and Its Uses as a Catalyst Support for Hydrogenation of Nitroaromatics

(2016) Wenliang Sun et al.   ACS Applied Materials & Interfaces

Conversion of Dinitrogen to Ammonia by FeN3-Embedded Graphene

(2016) Xiao-Fei Li et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Steric Switching from Photochemical to Thermal Reaction Pathways for Enhanced Efficiency in Metal-Mediated Nitrogen Fixation

(2016) Leila M. Duman et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Electrocatalytic Nitrogen Fixation for Distributed Fertilizer Production?

(2016) Michael Jewess et al.   ACS Sustainable Chemistry & Engineering

Generalized Reaction Mechanism for the Selective Aerobic Oxidation of Aryl and Alkyl Alcohols over Nitrogen-Doped Graphene

(2015) Vijaya Sundar Jeyaraj et al.   Journal of Physical Chemistry C

Hexagonal Boron Nitride Cover on Pt(111): A New Route to Tune Molecule–Metal Interaction and Metal-Catalyzed Reactions

(2015) Yanhong Zhang et al.   NANO LETTERS

Isotopic evidence for biological nitrogen fixation by molybdenum-nitrogenase from 3.2 Gyr

(2015) Eva E. Stüeken et al.   NATURE

Enabling electrochemical reduction of nitrogen to ammonia at ambient conditions through rational catalyst design

(2015) Younes Abghoui et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Nitrogen-Doped, Metal-Free Activated Carbon Catalysts for Aerobic Oxidation of Alcohols

(2015) Hiroyuki Watanabe et al.   ACS Catalysis

Nitrogen-fixation catalyst based on graphene: every part counts

(2014) Yuan-Qi Le et al.   CHEMICAL COMMUNICATIONS

Challenges in reduction of dinitrogen by proton and electron transfer

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

Dinitrogen Activation by Silicon and Phosphorus Doped Aluminum Clusters

(2014) Susanta Das et al.   Journal of Physical Chemistry C

New recipe produces ammonia from air, water, and sunlight

(2014) R. F. Service   SCIENCE

h-BN Monolayer on the Ni(111) Surface: A Potential Catalyst for Oxidation

(2013) A. H. M. Abdul Wasey et al.   ACS Applied Materials & Interfaces

“Metal-Free” Catalytic Oxygen Reduction Reaction on Heteroatom-Doped Graphene is Caused by Trace Metal Impurities

(2013) Lu Wang et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

First-Principles Investigations of Metal (Cu, Ag, Au, Pt, Rh, Pd, Fe, Co, and Ir) Doped Hexagonal Boron Nitride Nanosheets: Stability and Catalysis of CO Oxidation

(2013) Sen Lin et al.   Journal of Physical Chemistry C

Ultrahard nanotwinned cubic boron nitride

(2013) Yongjun Tian et al.   NATURE

Novel Chemistry for the Selective Oxidation of Benzyl Alcohol by Graphene Oxide and N-Doped Graphene

(2013) J. Vijaya Sundar et al.   ORGANIC LETTERS

Electrochemical ammonia production on molybdenum nitride nanoclusters

(2013) J. G. Howalt et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Theory of multiple proton–electron transfer reactions and its implications for electrocatalysis

(2013) Marc T. M. Koper   Chemical Science

Nitrogen and silica co-doped graphene nanosheets for NO2 gas sensing

(2013) Fang Niu et al.   Journal of Materials Chemistry A

Band-Gap Engineering via Tailored Line Defects in Boron-Nitride Nanoribbons, Sheets, and Nanotubes

(2012) Xiuling Li et al.   ACS Nano

BCN Graphene as Efficient Metal-Free Electrocatalyst for the Oxygen Reduction Reaction

(2012) Shuangyin Wang et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Antisite Atom Segregation in Porous Boron Nitride Nanotubes: Formation Mechanism and Characterization

(2012) Luqing Wang et al.   Journal of Physical Chemistry C

Oxygen reduction reaction mechanism on nitrogen-doped graphene: A density functional theory study

(2011) Liang Yu et al.   JOURNAL OF CATALYSIS

Ambient Carbon Dioxide Capture by Boron-Rich Boron Nitride Nanotube

(2011) Heechol Choi et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

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

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

Homogeneous iron complexes for the conversion of dinitrogen into ammonia and hydrazine

(2010) Nilay Hazari   CHEMICAL SOCIETY REVIEWS

Metal-Free Carbon Nanomaterials Become More Active than Metal Catalysts and Last Longer

(2010) Dingshan Yu et al.   Journal of Physical Chemistry Letters

Nitrogen Cycle Electrocatalysis

(2009) Victor Rosca et al.   CHEMICAL REVIEWS

Catalytic Reduction of Dinitrogen to Ammonia by Molybdenum: Theory versus Experiment

(2008) Richard R. Schrock   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

First-Principles Investigation of the Schrock Mechanism of Dinitrogen Reduction Employing the Full HIPTN3N Ligand

(2008) Stephan Schenk et al.   INORGANIC CHEMISTRY

Electronic Structures of Defective Boron Nitride Nanotubes under Transverse Electric Fields

(2008) Shuanglin Hu et al.   Journal of Physical Chemistry C

Long-range corrected hybrid density functionals with damped atom–atom dispersion corrections

(2008) Jeng-Da Chai et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS