Nitrogen reduction reaction on small iron clusters supported by N-doped graphene: A theoretical study of the atomically precise active-site mechanism

Carbon-Based Metal-Free Catalysts for Electrocatalytic Reduction of Nitrogen for Synthesis of Ammonia at Ambient Conditions

(2019) Shenlong Zhao et al.   ADVANCED MATERIALS

Hybrid Functional Study of the Electro-Oxidation of Water on Pristine and Defective Hematite (0001)

(2019) Richard Baochang Wang et al.   Journal of Physical Chemistry C

Correlations between Density-Based Bond Orders and Orbital-Based Bond Energies for Chemical Bonding Analysis

(2019) Roderigh Y. Rohling et al.   Journal of Physical Chemistry C

Disentangling the size-dependent geometric and electronic effects of palladium nanocatalysts beyond selectivity

(2019) Hengwei Wang et al.   Science Advances

gt-C3N4 coordinated single atom as an efficient electrocatalyst for nitrogen reduction reaction

(2019) Lifu Zhang et al.   Nano Research

Single-Boron Catalysts for Nitrogen Reduction Reaction

(2019) Chuangwei Liu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Site-Selective Growth of Crystalline Ceria with Oxygen Vacancies on Gold Nanocrystals for Near-Infrared Nitrogen Photofixation

(2019) Henglei Jia et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Cr2O3 Nanoparticle-Reduced Graphene Oxide Hybrid: A Highly Active Electrocatalyst for N2 Reduction at Ambient Conditions

(2019) Li Xia et al.   INORGANIC CHEMISTRY

Electrochemical Ammonia Generation Directly from Nitrogen and Air Using an Iron-Oxide/Titania-Based Catalyst at Ambient Conditions

(2019) Revanasiddappa Manjunatha et al.   ACS Applied Materials & Interfaces

Dinitrogen Activation and Functionalization Using β-Diketiminate Iron Complexes

(2019) Samuel M. Bhutto et al.   EUROPEAN JOURNAL OF INORGANIC CHEMISTRY

Molybdenum-catalysed ammonia production with samarium diiodide and alcohols or water

(2019) Yuya Ashida et al.   NATURE

Homogeneous, Heterogeneous, and Biological Catalysts for Electrochemical N2 Reduction toward NH3 under Ambient Conditions

(2019) Huimin Liu et al.   ACS Catalysis

Size-Dependent Reactivity of Rhodium Cluster Anions toward Methane

(2019) Yi Ren et al.   Journal of Physical Chemistry C

Identification of FeN4 as an Efficient Active Site for Electrochemical N2 Reduction

(2019) Chao He et al.   ACS Catalysis

Nitrogen-coordinated single Fe sites for efficient electrocatalytic N2 fixation in neutral media

(2019) Fang Lü et al.   Nano Energy

Building electrode with three-dimensional macroporous interface from biocompatible polypyrrole and conductive graphene nanosheets to achieve highly efficient microbial electrocatalysis

(2019) Liming Yang et al.   BIOSENSORS & BIOELECTRONICS

Copper Single Atoms Anchored in Porous Nitrogen-Doped Carbon as Efficient pH-Universal Catalysts for the Nitrogen Reduction Reaction

(2019) Wenjie Zang et al.   ACS Catalysis

Electrochemical Nitrogen Reduction Reaction Performance of Single-Boron Catalysts Tuned by MXene Substrates

(2019) Shisheng Zheng et al.   Journal of Physical Chemistry Letters

Rational design of electrocatalysts and photo(electro)catalysts for nitrogen reduction to ammonia (NH3) under ambient conditions

(2018) Chunxian Guo et al.   Energy & Environmental Science

Control of nitrogen activation ability by Co-Mo bimetallic nanoparticle catalysts prepared via sodium naphthalenide-reduction

(2018) Yuki Tsuji et al.   JOURNAL OF CATALYSIS

Single Molybdenum Atom Anchored on N-Doped Carbon as a Promising Electrocatalyst for Nitrogen Reduction into Ammonia at Ambient Conditions

(2018) Chongyi Ling et al.   Journal of Physical Chemistry C

Acid-Promoter-Free Ethylene Methoxycarbonylation over Ru-Clusters/Ceria: The Catalysis of Interfacial Lewis Acid–Base Pair

(2018) Jinghua An et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Reaction Mechanism and Kinetics for Ammonia Synthesis on the Fe(111) Surface

(2018) Jin Qian et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

A Spectroscopic Study on the Nitrogen Electrochemical Reduction Reaction on Gold and Platinum Surfaces

(2018) Yao Yao et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Heterogeneous Fe3 single-cluster catalyst for ammonia synthesis via an associative mechanism

(2018) Jin-Cheng Liu et al.   Nature Communications

Nanosize Effect of Al2O3 in Ag/Al2O3 Catalyst for the Selective Catalytic Oxidation of Ammonia

(2018) Fei Wang et al.   ACS Catalysis

Suppression of Hydrogen Evolution Reaction in Electrochemical N2 Reduction Using Single-Atom Catalysts: A Computational Guideline

(2018) Changhyeok Choi et al.   ACS Catalysis

A Review of Electrocatalytic Reduction of Dinitrogen to Ammonia under Ambient Conditions

(2018) Xiaoyang Cui et al.   Advanced Energy Materials

Fe-doped phosphorene for the nitrogen reduction reaction

(2018) Zengxi Wei et al.   Journal of Materials Chemistry A

Heterogeneous single-atom catalysis

(2018) Aiqin Wang et al.   Nature Reviews Chemistry

Tuning nitrogen reduction reaction activity via controllable Fe magnetic moment: A computational study of single Fe atom supported on defective graphene

(2018) Xiangyu Guo et al.   ELECTROCHIMICA ACTA

Electrochemical Synthesis of Ammonia from N2 and H2O under Ambient Conditions Using Pore-Size-Controlled Hollow Gold Nanocatalysts with Tunable Plasmonic Properties

(2018) Mohammadreza Nazemi et al.   Journal of Physical Chemistry Letters

Ambient Electrochemical Ammonia Synthesis with High Selectivity on Fe/Fe Oxide Catalyst

(2018) Lin Hu et al.   ACS Catalysis

Elementary kinetics of nitrogen electroreduction on Fe surfaces

(2018) Sharad Maheshwari et al.   JOURNAL OF CHEMICAL PHYSICS

Review on photocatalytic and electrocatalytic artificial nitrogen fixation for ammonia synthesis at mild conditions: Advances, challenges and perspectives

(2018) Xiaolan Xue et al.   Nano Research

Rational Design of Fe–N/C Hybrid for Enhanced Nitrogen Reduction Electrocatalysis under Ambient Conditions in Aqueous Solution

(2018) Ying Wang et al.   ACS Catalysis

Copper Cluster Size Effect in Methanol Synthesis from CO2

(2017) Bing Yang et al.   Journal of Physical Chemistry C

Surface Single-Cluster Catalyst for N2-to-NH3 Thermal Conversion

(2017) Xue-Lu Ma et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Titanium-Based Hydrides as Heterogeneous Catalysts for Ammonia Synthesis

(2017) Yoji Kobayashi et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

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

Electrochemical Synthesis of NH3 at Low Temperature and Atmospheric Pressure Using a γ-Fe2O3 Catalyst

(2017) Jimin Kong et al.   ACS Sustainable Chemistry & Engineering

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

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

Reactivity of Metal Clusters

(2016) Zhixun Luo et al.   CHEMICAL REVIEWS

Noncovalent Functionalization of Graphene and Graphene Oxide for Energy Materials, Biosensing, Catalytic, and Biomedical Applications

(2016) Vasilios Georgakilas et al.   CHEMICAL REVIEWS

Promotional effect of surface hydroxyls on electrochemical reduction of CO 2 over SnO x /Sn electrode

(2016) Chaonan Cui et al.   JOURNAL OF CATALYSIS

LOBSTER: A tool to extract chemical bonding from plane-wave based DFT

(2016) Stefan Maintz et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Conversion of Dinitrogen to Ammonia by FeN3-Embedded Graphene

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

In situ electrochemical quantification of active sites in Fe–N/C non-precious metal catalysts

(2016) Daniel Malko et al.   Nature Communications

Dinitrogen Binding and Cleavage by Multinuclear Iron Complexes

(2015) Sean F. McWilliams et al.   ACCOUNTS OF CHEMICAL RESEARCH

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

(2015) Joseph H. Montoya et al.   ChemSusChem

Catalysis by clusters with precise numbers of atoms

(2015) Eric C. Tyo et al.   Nature Nanotechnology

Special and General Superatoms

(2014) Zhixun Luo et al.   ACCOUNTS OF CHEMICAL RESEARCH

Mechanism of Nitrogen Fixation by Nitrogenase: The Next Stage

(2014) Brian M. Hoffman et al.   CHEMICAL REVIEWS

Challenges in reduction of dinitrogen by proton and electron transfer

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

Ammonia synthesis by N2 and steam electrolysis in molten hydroxide suspensions of nanoscale Fe2O3

(2014) S. Licht et al.   SCIENCE

Analytic projection from plane-wave and PAW wavefunctions and application to chemical-bonding analysis in solids

(2013) Stefan Maintz et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Rod-Shaped Fe2O3as an Efficient Catalyst for the Selective Reduction of Nitrogen Oxide by Ammonia

(2012) Xiaoling Mou et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Crystal Orbital Hamilton Population (COHP) Analysis As Projected from Plane-Wave Basis Sets

(2011) Volker L. Deringer et al.   JOURNAL OF PHYSICAL CHEMISTRY A

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

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

Role of s−p Orbital Mixing in the Bonding and Properties of Second-Period Diatomic Molecules

(2008) F. Matthias Bickelhaupt et al.   JOURNAL OF PHYSICAL CHEMISTRY A