Electric-Field Controllable Metal-free Materials as Efficient Electrocatalysts for Nitrogen Fixation

High storage capacity and small volume change of Potassium-intercalation into novel vanadium oxychalcogenide monolayers V2S2O, V2Se2O and V2Te2O: An ab initio DFT investigation

(2021) Yang-Xin Yu   APPLIED SURFACE SCIENCE

Single Nb or W Atom-Embedded BP Monolayers as Highly Selective and Stable Electrocatalysts for Nitrogen Fixation with Low-Onset Potentials

(2021) Jie Wu et al.   ACS Applied Materials & Interfaces

Theoretical insights into bimetallic atoms supported on PC6 as highly efficient electrocatalysts for N2 electroreduction to NH3

(2021) Qiuling Jiang et al.   APPLIED SURFACE SCIENCE

Tackling the Activity and Selectivity Challenges of Electrocatalysts towards Nitrogen Reduction Reaction via Atomically Dispersed Bi-Atom Catalysts

(2020) Xiangyu Guo et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Recent Advances and Challenges of Electrocatalytic N2 Reduction to Ammonia

(2020) Geletu Qing et al.   CHEMICAL REVIEWS

Metal-free heteroatom-doped carbon-based catalysts for ORR: A critical assessment about the role of heteroatoms

(2020) Javier Quílez-Bermejo et al.   CARBON

Theoretical Insights into the Mechanism of Selective Nitrate‐to‐Ammonia Electroreduction on Single‐Atom Catalysts

(2020) Huan Niu et al.   ADVANCED FUNCTIONAL MATERIALS

Two-Dimensional PC6 with Direct Band Gap and Anisotropic Carrier Mobility

(2019) Tong Yu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Single Mo1(Cr1) Atom on Nitrogen-Doped Graphene Enables Highly Selective Electroreduction of Nitrogen into Ammonia

(2019) Wanghui Zhao et al.   ACS Catalysis

Single-Boron Catalysts for Nitrogen Reduction Reaction

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

A theoretical explanation of the effect of oxygen poisoning on industrial Haber-Bosch catalysts

(2019) Brian A. Rohr et al.   JOURNAL OF CATALYSIS

Recent Advanced Materials for Electrochemical and Photoelectrochemical Synthesis of Ammonia from Dinitrogen: One Step Closer to a Sustainable Energy Future

(2019) Zihao Yan et al.   Advanced Energy Materials

Adsorption and catalytic activation of N2 molecule on iron dimer supported by different two-dimensional carbon-based substrates: A computational study

(2019) Fan He et al.   APPLIED SURFACE SCIENCE

Metal-Free Nitrogen Fixation at Boron

(2018) Christian Hering-Junghans   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Aqueous electrocatalytic N2 reduction under ambient conditions

(2018) Na Cao et al.   Nano Research

Nitrogen fixation and reduction at boron

(2018) Marc-André Légaré et al.   SCIENCE

High-performance artificial nitrogen fixation at ambient conditions using a metal-free electrocatalyst

(2018) Weibin Qiu et al.   Nature Communications

Theoretical Evaluation of Possible 2D Boron Monolayer in N2 Electrochemical Conversion into Ammonia

(2018) Chuangwei Liu et al.   Journal of Physical Chemistry C

Effect of Defects and Solvents on Silicene Cathode of Nonaqueous Lithium–Oxygen Batteries: A Theoretical Investigation

(2018) Yang-Xin Yu   Journal of Physical Chemistry C

Metal-Free Single Atom Catalyst for N2 Fixation Driven by Visible Light

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

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

Structure- and Coverage-Sensitive Mechanism of NO Reduction on Platinum Electrodes

(2017) Ioannis Katsounaros et al.   ACS Catalysis

Two-Dimensional Phosphorus Carbide: Competition between sp2 and sp3 Bonding

(2016) Jie Guan et al.   NANO LETTERS

Carbon phosphide monolayers with superior carrier mobility

(2016) Gaoxue Wang et al.   Nanoscale

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

(2015) Joseph H. Montoya et al.   ChemSusChem

Electrolysis of liquid ammonia for hydrogen generation

(2015) Daniel J. Little et al.   Energy & Environmental Science

Perspectives on external electric fields in molecular simulation: progress, prospects and challenges

(2015) Niall J. English et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Metal-free efficient photocatalyst for stable visible water splitting via a two-electron pathway

(2015) Juan Liu et al.   SCIENCE

Phosphorene: An Unexplored 2D Semiconductor with a High Hole Mobility

(2014) Han Liu et al.   ACS Nano

Mechanism of Nitrogen Fixation by Nitrogenase: The Next Stage

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

Work Functions of Pristine and Heteroatom-Doped Graphenes under Different External Electric Fields: An ab Initio DFT Study

(2014) Reza Gholizadeh et al.   Journal of Physical Chemistry C

Towards a carbon independent and CO2-free electrochemical membrane process for NH3 synthesis

(2014) K. Kugler et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Phase Coexistence and Metal-Insulator Transition in Few-Layer Phosphorene: A Computational Study

(2014) Jie Guan et al.   PHYSICAL REVIEW LETTERS

Carrier Mobility in Graphyne Should Be Even Larger than That in Graphene: A Theoretical Prediction

(2013) Jianming Chen et al.   Journal of Physical Chemistry Letters

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

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

How a century of ammonia synthesis changed the world

(2008) Jan Willem Erisman et al.   Nature Geoscience

Transformation of the Nitrogen Cycle: Recent Trends, Questions, and Potential Solutions

(2008) J. N. Galloway et al.   SCIENCE