Electro-reduction of N2 on nanostructured materials and the design strategies of advanced catalysts based on descriptors

Ag (111) surface for ambient electrolysis of nitrogen to ammonia

(2021) Jin-Rong Huo et al.   JOURNAL OF MOLECULAR MODELING

High-Throughput Screening of Synergistic Transition Metal Dual-Atom Catalysts for Efficient Nitrogen Fixation

(2021) Xingshuai Lv et al.   NANO LETTERS

Single-metal-atom site with high-spin state embedded in defective BN nanosheet promotes electrocatalytic nitrogen reduction

(2021) Cong Fang et al.   Nano Research

Capture and separation of CO2 on BC3 nanosheets: A DFT study

(2021) Houyong Yang et al.   CHINESE CHEMICAL LETTERS

TiB2 thin film enabled efficient NH3 electrosynthesis at ambient conditions

(2021) Shaoxiong Li et al.   Materials Today Physics

Recent advances in strategies for highly selective electrocatalytic N2 reduction toward ambient NH3 synthesis

(2021) Qian Liu et al.   Current Opinion in Electrochemistry

A Theoretical Evaluation of Possible N 2 Reduction Mechanism on Mo 2 B 2

(2021) Jia Wang et al.   Advanced Theory and Simulations

Carbon‐Coordinated Single Cr Site for Efficient Electrocatalytic N 2 Fixation

(2021) Wei Song et al.   Advanced Theory and Simulations

Ti2O3 Nanoparticles with Ti3+ Sites toward Efficient NH3 Electrosynthesis under Ambient Conditions

(2021) Haijun Chen et al.   ACS Applied Materials & Interfaces

High‐Performance Electrochemical NO Reduction into NH3 by MoS2 Nanosheet

(2021) Xuping Sun   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Construction of Cr-embedded graphyne electrocatalyst for highly selective reduction of CO2 to CH4: A DFT study

(2021) Ling Fu et al.   CHEMICAL ENGINEERING JOURNAL

Fe-embedded Au (111) monolayer as an electrocatalyst for N2 reduction reaction: A first-principles investigation

(2021) Ling Fu et al.   JOURNAL OF ALLOYS AND COMPOUNDS

Enhancing electrocatalytic N2-to-NH3 fixation by suppressing hydrogen evolution with alkylthiols modified Fe3P nanoarrays

(2021) Tong Xu et al.   Nano Research

Maximizing the Formation of Reactive Oxygen Species for Deep Oxidation of NO via Manipulating the Oxygen-Vacancy Defect Position on (BiO)2CO3

(2021) Fei Rao et al.   ACS Catalysis

Atomically dispersed Palladium-Ethylene Glycol- Bismuth oxybromide for photocatalytic nitrogen fixation: Insight of molecular bridge mechanism

(2021) Jianxin Liu et al.   JOURNAL OF COLLOID AND INTERFACE SCIENCE

MnO2 nanoarray with oxygen vacancies: An efficient catalyst for NO electroreduction to NH3 at ambient conditions

(2021) Zerong. Li et al.   Materials Today Physics

Enhancing of nitrogen reduction reaction to ammonia through CoB4-embedded graphene: Theoretical investigation

(2020) Juan Liu et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

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

Computational insights into nitrogen reduction reaction catalyzed by transition metal doped graphene: Comparative investigations

(2020) Juan Xie et al.   MATERIALS CHEMISTRY AND PHYSICS

Determining the adsorption energies of small molecules with the intrinsic properties of adsorbates and substrates

(2020) Wang Gao et al.   Nature Communications

High-Performance Electrocatalytic Conversion of N2 to NH3 Using 1T-MoS2 Anchored on Ti3C2 MXene under Ambient Conditions

(2020) Xuesong Xu et al.   ACS Applied Materials & Interfaces

A Janus Fe‐SnO 2 Catalyst that Enables Bifunctional Electrochemical Nitrogen Fixation

(2020) Linlin Zhang et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Charge-regulated CO2 capture capacity of metal atom embedded graphyne: A first-principles study

(2020) Chaozheng He et al.   APPLIED SURFACE SCIENCE

Recent Advances and Challenges of Electrocatalytic N2 Reduction to Ammonia

(2020) Geletu Qing et al.   CHEMICAL REVIEWS

Two-dimensional 1T-PS2 as a promising anode material for sodium-ion batteries with ultra-high capacity, low average voltage and appropriate mobility

(2020) Dawei Zhou et al.   CHINESE CHEMICAL LETTERS

Electric Dipole Descriptor for Machine Learning Prediction of Catalyst Surface–Molecular Adsorbate Interactions

(2020) Xijun Wang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Scalable synthesis of nanoporous boron for high efficiency ammonia electrosynthesis

(2020) Jiao Lan et al.   Materials Today

Electronic Structure Based Intuitive Design Principle of Single‐Atom Catalysts for Efficient Electrolytic Nitrogen Reduction

(2020) Ritesh Kumar et al.   ChemCatChem

Atomically embedded asymmetrical dual-metal dimers on N-doped graphene for ultra-efficient nitrogen reduction reaction

(2020) Tianwei He et al.   JOURNAL OF CATALYSIS

Atom-Pair Catalysts Supported by N-Doped Graphene for the Nitrogen Reduction Reaction: d-Band Center-Based Descriptor

(2020) Ting Deng et al.   Journal of Physical Chemistry Letters

Contribution of Nitrogen Vacancies to Ammonia Synthesis over Metal Nitride Catalysts

(2020) Tian-Nan Ye et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Activity origin and design principles for atomic vanadium anchoring on phosphorene monolayer for nitrogen reduction reaction

(2020) Xiongyi Liang et al.   Nano Research

Bismuth-Based Free-Standing Electrodes for Ambient-Condition Ammonia Production in Neutral Media

(2020) Ying Sun et al.   Nano-Micro Letters

Enhanced Electrochemical Reduction of N2 to Ammonia over Pyrite FeS2 with Excellent Selectivity

(2020) Hao Du et al.   ACS Sustainable Chemistry & Engineering

Nanostructured and Boron-Doped Diamond as an Electrocatalyst for Nitrogen Fixation

(2020) Bin Liu et al.   ACS Energy Letters

Copper-sulfide cluster assembled architecture via in situ reaction

(2020) Hailiang Hu et al.   CHINESE CHEMICAL LETTERS

Two-dimensional MgSiP2 with anisotropic electronic properties and good performances for Na-ion batteries

(2020) Chunying Pu et al.   CHINESE CHEMICAL LETTERS

Electrochemical N2 Reduction to Ammonia Using Single Au/Fe Atoms Supported on Nitrogen-Doped Porous Carbon

(2020) Sudhir K. Sahoo et al.   ACS Applied Energy Materials

Two-dimensional transition metal borides as highly efficient N2 fixation catalysts

(2020) Siyun Qi et al.   APPLIED SURFACE SCIENCE

Potential active sites of Mo single atoms for electrocatalytic reduction of N2

(2020) Lei Chen et al.   CHINESE CHEMICAL LETTERS

Electrochemical synthesis of ammonia: Progress and challenges

(2020) Tingting Wu et al.   Materials Today Physics

Ultrathin bismuth oxyiodide nanosheets for photocatalytic ammonia generation from nitrogen and water under visible to near-infrared light

(2020) M. Mohebinia et al.   Materials Today Physics

Ni-based layered double hydroxide catalysts for oxygen evolution reaction

(2020) L. Yang et al.   Materials Today Physics

Highly active non-noble electrocatalyst from Co2P/Ni2P nanohybrids for pH-universal hydrogen evolution reaction

(2020) D.Y. Li et al.   Materials Today Physics

In-situ generation of oxygen vacancies and metallic bismuth from (BiO)2CO3 via N2-assisted thermal-treatment for efficient selective photocatalytic NO removal

(2020) Fei Rao et al.   APPLIED CATALYSIS B-ENVIRONMENTAL

High-throughput identification of high activity and selectivity transition metal single-atom catalysts for nitrogen reduction

(2020) Zhe Xue et al.   Nano Energy

Insights into electrochemical nitrogen reduction reaction mechanisms: Combined effect of single transition-metal and boron atom

(2020) Xingzhu Chen et al.   Journal of Energy Chemistry

Heterogeneous electrocatalysts design for nitrogen reduction reaction under ambient conditions

(2019) Yuchi Wan et al.   Materials Today

Single-Boron Catalysts for Nitrogen Reduction Reaction

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

NH3 as a Transport Fuel in Internal Combustion Engines: A Technical Review

(2019) Herry Lesmana et al.   JOURNAL OF ENERGY RESOURCES TECHNOLOGY-TRANSACTIONS OF THE ASME

Building up a Picture of the Electrocatalytic Nitrogen Reduction Activity of Transition Metal Single Atom Catalysts

(2019) xin liu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Bimodal nanoporous Pd3Cu1 alloy with restrained hydrogen evolution for stable and high yield electrochemical nitrogen reduction

(2019) Fangjie Pang et al.   Nano Energy

Triggering surface oxygen vacancies on atomic layered molybdenum dioxide for a low energy consumption path toward nitrogen fixation

(2019) Gong Zhang et al.   Nano Energy

Enhanced Electrocatalytic N2 Reduction via Partial Anion Substitution in Titanium Oxide-Carbon Composites

(2019) Qing Qin et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

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

(2019) Fang Lü et al.   Nano Energy

Activating Graphyne Nanosheet via sp-Hybridized Boron Modulation for Electrochemical Nitrogen Fixation

(2019) Qilong Liu et al.   INORGANIC CHEMISTRY

Metal-Free B@g-CN: Visible/Infrared Light-Driven Single Atom Photocatalyst Enables Spontaneous Dinitrogen Reduction to Ammonia

(2019) Xingshuai Lv et al.   NANO LETTERS

Oxygen vacancy enables electrochemical N2 fixation over WO3 with tailored structure

(2019) Zhenyu Sun et al.   Nano Energy

Adsorbing and Activating N 2 on Heterogeneous Au–Fe 3 O 4 Nanoparticles for N 2 Fixation

(2019) Jin Zhang et al.   ADVANCED FUNCTIONAL MATERIALS

Tuning the Catalytic Preference of Ruthenium Catalysts for Nitrogen Reduction by Atomic Dispersion

(2019) Bing Yu et al.   ADVANCED FUNCTIONAL MATERIALS

Advances and challenges in modeling solvated reaction mechanisms for renewable fuels and chemicals

(2019) Yasemin Basdogan et al.   Wiley Interdisciplinary Reviews-Computational Molecular Science

Probing the active sites of site-specific nitrogen doping in metal-free graphdiyne for electrochemical oxygen reduction reactions

(2019) Xingzhu Chen et al.   Science Bulletin

O-doped graphdiyne as metal-free catalysts for nitrogen reduction reaction

(2019) Zhen Feng et al.   Molecular Catalysis

Nanoporous Palladium Hydride for Electrocatalytic N2 Reduction under Ambient Conditions

(2019) Wence Xu et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

The growth pattern of Ptn (n = 1–6) clusters on pentagonal B2C monolayer support: A computational study

(2019) Chaozheng He et al.   APPLIED SURFACE SCIENCE

N-heterocyclic carbene as a promising metal-free electrocatalyst with high efficiency for nitrogen reduction to ammonia

(2019) Hongyan Li et al.   Journal of Energy Chemistry

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

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

The Use of Controls for Consistent and Accurate Measurements of Electrocatalytic Ammonia Synthesis from Dinitrogen

(2018) Lauren F. Greenlee et al.   ACS Catalysis

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

(2018) Xiaoyang Cui et al.   Advanced Energy Materials

Efficient Electrochemical N2 Reduction to NH3 on MoN Nanosheets Array under Ambient Conditions

(2018) Ling Zhang et al.   ACS Sustainable Chemistry & Engineering

Discovery of cobweb-like MoC6 and its application for nitrogen fixation

(2018) Z. W. Chen et al.   Journal of Materials Chemistry A

MoO3 nanosheets for efficient electrocatalytic N2 fixation to NH3

(2018) Jingrui Han et al.   Journal of Materials Chemistry A

Metal-organic framework-derived nitrogen-doped highly disordered carbon for electrochemical ammonia synthesis using N 2 and H 2 O in alkaline electrolytes

(2018) Shreya Mukherjee et al.   Nano Energy

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

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

(2018) Weibin Qiu et al.   Nature Communications

Double-atom catalysts: transition metal dimer-anchored C2N monolayers as N2 fixation electrocatalysts

(2018) Xu Zhang et al.   Journal of Materials Chemistry A

Pothole-rich Ultrathin WO3 Nanosheets that Trigger N≡N Bond Activation of Nitrogen for Direct Nitrate Photosynthesis

(2018) Youwen Liu et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

A Biomass-Derived Carbon-Based Electrocatalyst for Efficient N2 Fixation to NH3 under Ambient Conditions

(2018) Hong Huang et al.   CHEMISTRY-A EUROPEAN JOURNAL

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

Challenges in Modeling Electrochemical Reaction Energetics with Polarizable Continuum Models

(2018) Joseph A. Gauthier et al.   ACS Catalysis

High-Performance N2-to-NH3 Conversion Electrocatalyzed by Mo2C Nanorod

(2018) Xiang Ren et al.   ACS Central Science

Nitrogen Fixation by Ru Single-Atom Electrocatalytic Reduction

(2018) Hengcong Tao et al.   Chem

Energy consumption, carbon dioxide emissions, information and communications technology, and gross domestic product in Iranian economic sectors: A panel causality analysis

(2018) Zahra Dehghan Shabani et al.   ENERGY

Single Mo Atom Supported on Defective Boron Nitride Monolayer as an Efficient Electrocatalyst for Nitrogen Fixation: A Computational Study

(2017) Jingxiang Zhao et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Ammonia as a Renewable Energy Transportation Media

(2017) S. Giddey et al.   ACS Sustainable Chemistry & Engineering

Carbon-free H 2 production from ammonia triggered at room temperature with an acidic RuO 2 /γ-Al 2 O 3 catalyst

(2017) Katsutoshi Nagaoka et al.   Science Advances

Promising prospects for 2D d2–d4 M3C2 transition metal carbides (MXenes) in N2 capture and conversion into ammonia

(2016) Luis Miguel Azofra et al.   Energy & Environmental Science

Conversion of Dinitrogen to Ammonia by FeN3-Embedded Graphene

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

On the mechanism of electrochemical ammonia synthesis on the Ru catalyst

(2016) Seoin Back et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Electrochemical Ammonia Synthesis—The Selectivity Challenge

(2016) Aayush R. Singh et al.   ACS Catalysis

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

(2015) Joseph H. Montoya et al.   ChemSusChem

A general framework for the assessment of solar fuel technologies

(2015) Jeffrey A. Herron et al.   Energy & Environmental Science

N2 Activation by an Iron Complex with a Strong Electron-Donating Iminophosphorane Ligand

(2015) Tatsuya Suzuki et al.   INORGANIC CHEMISTRY

Effect of electrode material on the electrochemical reduction of nitrogen in a molten LiCl–KCl–CsCl system

(2015) Kwiyong Kim et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

A comparison between renewable transport fuels that can supplement or replace biofuels in a 100% renewable energy system

(2014) D. Connolly et al.   ENERGY

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

(2014) S. Licht et al.   SCIENCE

Electrochemical Synthesis of Ammonia Based on Co3Mo3N Catalyst and LiAlO2–(Li,Na,K)2CO3 Composite Electrolyte

(2014) Ibrahim A. Amar et al.   Electrocatalysis

Mechanistic aspects of dinitrogen cleavage and hydrogenation to produce ammonia in catalysis and organometallic chemistry: relevance of metal hydride bonds and dihydrogen

(2013) Hong-Peng Jia et al.   CHEMICAL SOCIETY REVIEWS

Review of electrochemical ammonia production technologies and materials

(2013) S. Giddey et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

DFT based study of transition metal nano-clusters for electrochemical NH3 production

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

The Dual-Fuel Strategy: An Energy Transition Plan

(2012) William L. Ahlgren   PROCEEDINGS OF THE IEEE

Solid-state electrochemical synthesis of ammonia: a review

(2011) Ibrahim A. Amar et al.   JOURNAL OF SOLID STATE ELECTROCHEMISTRY

Single-atom catalysis of CO oxidation using Pt1/FeO x

(2011) Botao Qiao et al.   Nature Chemistry

Sustainable hydrocarbon fuels by recycling CO 2 and H 2 O with renewable or nuclear energy

(2010) Christopher Graves et al.   RENEWABLE & SUSTAINABLE ENERGY REVIEWS