相关参考文献
注意:仅列出部分参考文献,下载原文获取全部文献信息。Rh@C8N8 monolayer as a promising single-atom-catalyst for overall water splitting
Huimin Chen et al.
APPLIED SURFACE SCIENCE (2021)
Establishing a Theoretical Landscape for Identifying Basal Plane Active 2D Metal Borides (MBenes) toward Nitrogen Electroreduction
Xiangyu Guo et al.
ADVANCED FUNCTIONAL MATERIALS (2021)
2D Electrocatalysts for Converting Earth-Abundant Simple Molecules into Value-Added Commodity Chemicals: Recent Progress and Perspectives
Huajie Yin et al.
ADVANCED MATERIALS (2020)
Tackling the Activity and Selectivity Challenges of Electrocatalysts toward the Nitrogen Reduction Reaction via Atomically Dispersed Biatom Catalysts
Xiangyu Guo et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2020)
Recent Advances and Challenges of Electrocatalytic N2 Reduction to Ammonia
Geletu Qing et al.
CHEMICAL REVIEWS (2020)
Bimetallic Pairs Supported on Graphene as Efficient Electrocatalysts for Nitrogen Fixation: Search for the Optimal Coordination Atoms
Riming Hu et al.
CHEMSUSCHEM (2020)
Current Progress of Electrocatalysts for Ammonia Synthesis Through Electrochemical Nitrogen Reduction Under Ambient Conditions
Anmin Liu et al.
CHEMSUSCHEM (2020)
Ambient Ammonia Electrosynthesis: Current Status, Challenges, and Perspectives
Xian-Wei Lv et al.
CHEMSUSCHEM (2020)
Atomically embedded asymmetrical dual-metal dimers on N-doped graphene for ultra-efficient nitrogen reduction reaction
Tianwei He et al.
JOURNAL OF CATALYSIS (2020)
Atom-Pair Catalysts Supported by N-Doped Graphene for the Nitrogen Reduction Reaction: d-Band Center-Based Descriptor
Ting Deng et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2020)
All Boron Atoms in a ScB12 Monolayer Contribute to the Hydrogen Evolution Reaction
Changyan Zhu et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2020)
Screening a Suitable Mo Form Supported on Graphdiyne for Effectively Electrocatalytic N2 Reduction Reaction: From Atomic Catalyst to Cluster Catalyst
Mengyuan Li et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2020)
Exploration and Investigation of Periodic Elements for Electrocatalytic Nitrogen Reduction
Shivaraj B. Patil et al.
SMALL (2020)
Theoretical insights into the performance of single and double transition metal atoms doped on N-graphenes for N2 electroreduction
Mengnan Qu et al.
APPLIED SURFACE SCIENCE (2020)
Defect engineering for electrochemical nitrogen reduction reaction to ammonia
Chenhuai Yang et al.
NANO ENERGY (2020)
An Electrochemical Haber-Bosch Process
Vasileios Kyriakou et al.
JOULE (2020)
Ultrahigh capacity 2D anode materials for lithium/sodium-ion batteries: an entirely planar B7P2 monolayer with suitable pore size and distribution
Changyan Zhu et al.
JOURNAL OF MATERIALS CHEMISTRY A (2020)
Two-Dimensional Anti-Van't Hoff/Le Bel Array AlB6 with High Stability, Unique Motif, Triple Dirac Cones, and Superconductivity
Bingyi Song et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2019)
Heterogeneous electrocatalysts design for nitrogen reduction reaction under ambient conditions
Yuchi Wan et al.
MATERIALS TODAY (2019)
A rigorous electrochemical ammonia synthesis protocol with quantitative isotope measurements
Suzanne Z. Andersen et al.
NATURE (2019)
Discovery of hexagonal ternary phase Ti2InB2 and its evolution to layered boride TiB
Junjie Wang et al.
NATURE COMMUNICATIONS (2019)
Single Pt atom decorated graphitic carbon nitride as an efficient photocatalyst for the hydrogenation of nitrobenzene into aniline
Tianwei He et al.
NANO RESEARCH (2019)
Identification of FeN4 as an Efficient Active Site for Electrochemical N2 Reduction
Chao He et al.
ACS CATALYSIS (2019)
Electrochemical synthesis of ammonia as a potential alternative to the Haber-Bosch process
Grigorii Soloveichik
NATURE CATALYSIS (2019)
Metal-Free B@g-CN: Visible/Infrared Light-Driven Single Atom Photocatalyst Enables Spontaneous Dinitrogen Reduction to Ammonia
Xingshuai Lv et al.
NANO LETTERS (2019)
New Mechanism for N2 Reduction: The Essential Role of Surface Hydrogenation
Chongyi Ling et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2019)
Elucidating the Mechanism of Electrochemical N2 Reduction at the Ru(0001) Electrode
Ebrahim Tayyebi et al.
ACS CATALYSIS (2019)
Carbon-Based Metal-Free Catalysts for Electrocatalytic Reduction of Nitrogen for Synthesis of Ammonia at Ambient Conditions
Shenlong Zhao et al.
ADVANCED MATERIALS (2019)
Review on photocatalytic and electrocatalytic artificial nitrogen fixation for ammonia synthesis at mild conditions: Advances, challenges and perspectives
Xiaolan Xue et al.
NANO RESEARCH (2019)
Electrocatalytic Reduction of Nitrogen: From Haber-Bosch to Ammonia Artificial Leaf
Antonio Jose Martin et al.
CHEM (2019)
Single or Double: Which Is the Altar of Atomic Catalysts for Nitrogen Reduction Reaction?
Zhi Wen Chen et al.
SMALL METHODS (2019)
Recent progress in electrocatalytic nitrogen reduction
Xiaoxi Guo et al.
JOURNAL OF MATERIALS CHEMISTRY A (2019)
First Principle Material Genome Approach for All Solid-State Batteries
Hongjie Xu et al.
ENERGY & ENVIRONMENTAL MATERIALS (2019)
B-terminated (111) polar surfaces of BP and BAs: promising metal-free electrocatalysts with large reaction regions for nitrogen fixation
Zhe Chen et al.
JOURNAL OF MATERIALS CHEMISTRY A (2019)
Advances in Electrocatalytic N2 Reduction-Strategies to Tackle the Selectivity Challenge
Gao-Feng Chen et al.
SMALL METHODS (2019)
Defect Engineering Strategies for Nitrogen Reduction Reactions under Ambient Conditions
Dafeng Yan et al.
SMALL METHODS (2019)
Defect engineering in earth-abundant electrocatalysts for CO2 and N2 reduction
Qichen Wang et al.
ENERGY & ENVIRONMENTAL SCIENCE (2019)
A General Two-Step Strategy-Based High-Throughput Screening of Single Atom Catalysts for Nitrogen Fixation
Chongyi Ling et al.
SMALL METHODS (2019)
Electrochemical nitrogen fixation and utilization: theories, advanced catalyst materials and system design
Wenhan Guo et al.
CHEMICAL SOCIETY REVIEWS (2019)
Computational Screening of Efficient Single-Atom Catalysts Based on Graphitic Carbon Nitride (g-C3N4) for Nitrogen Electroreduction
Zhe Chen et al.
SMALL METHODS (2019)
Two-dimensional transition metal diborides: promising Dirac electrocatalysts with large reaction regions toward efficient N2 fixation
Xuemin Hu et al.
JOURNAL OF MATERIALS CHEMISTRY A (2019)
Rational design of electrocatalysts and photo(electro) catalysts for nitrogen reduction to ammonia (NH3) under ambient conditions
Chunxian Guo et al.
ENERGY & ENVIRONMENTAL SCIENCE (2018)
Nitrogen fixation and reduction at boron
Marc-Andre Legare et al.
SCIENCE (2018)
Beyond fossil fuel-driven nitrogen transformations
Jingguang G. Chen et al.
SCIENCE (2018)
A Review of Electrocatalytic Reduction of Dinitrogen to Ammonia under Ambient Conditions
Xiaoyang Cui et al.
ADVANCED ENERGY MATERIALS (2018)
Graphene Defects Trap Atomic Ni Species for Hydrogen and Oxygen Evolution Reactions
Longzhou Zhang et al.
CHEM (2018)
Double-atom catalysts: transition metal dimer-anchored C2N monolayers as N2 fixation electrocatalysts
Xu Zhang et al.
JOURNAL OF MATERIALS CHEMISTRY A (2018)
Metal-Free Single Atom Catalyst for N2 Fixation Driven by Visible Light
Chongyi Ling et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2018)
Catalysts for nitrogen reduction to ammonia
Shelby L. Foster et al.
NATURE CATALYSIS (2018)
Electrocatalytic Nitrogen Reduction at Low Temperature
Jiao Deng et al.
JOULE (2018)
Electrochemical Reduction of N2 under Ambient Conditions for Artificial N2 Fixation and Renewable Energy Storage Using N2/NH3 Cycle
Di Bao et al.
ADVANCED MATERIALS (2017)
Catalysis by Supported Single Metal Atoms
Jingyue Liu
ACS CATALYSIS (2017)
Single Mo Atom Supported on Defective Boron Nitride Monolayer as an Efficient Electrocatalyst for Nitrogen Fixation: A Computational Study
Jingxiang Zhao et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2017)
Nanosheet Supported Single-Metal Atom Bifunctional Catalyst for Overall Water Splitting
Chongyi Ling et al.
NANO LETTERS (2017)
Combining theory and experiment in electrocatalysis: Insights into materials design
Zhi Wei Seh et al.
SCIENCE (2017)
Catalyst: NH3 as an Energy Carrier
Jianping Guo et al.
CHEM (2017)
Amorphizing of Au Nanoparticles by CeOx-RGO Hybrid Support towards Highly Efficient Electrocatalyst for N2 Reduction under Ambient Conditions
Si-Jia Li et al.
ADVANCED MATERIALS (2017)
Electroreduction of N2 to Ammonia at Ambient Conditions on Mononitrides of Zr, Nb, Cr, and V: A DFT Guide for Experiments
Younes Abghoui et al.
ACS CATALYSIS (2016)
LOBSTER: A Tool to Extract Chemical Bonding from Plane-Wave Based DFT
Stefan Maintz et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2016)
Dirac State in the FeB2 Monolayer with Graphene-Like Boron Sheet
Haijun Zhang et al.
NANO LETTERS (2016)
Experimental realization of two-dimensional boron sheets
Baojie Feng et al.
NATURE CHEMISTRY (2016)
The Challenge of Electrochemical Ammonia Synthesis: A New Perspective on the Role of Nitrogen Scaling Relations
Joseph H. Montoya et al.
CHEMSUSCHEM (2015)
Two-Dimensional Cu2Si Monolayer with Planar Hexacoordinate Copper and Silicon Bonding
Li-Ming Yang et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2015)
Synthesis of borophenes: Anisotropic, two-dimensional boron polymorphs
Andrew J. Mannix et al.
SCIENCE (2015)
First principles phonon calculations in materials science
Atsushi Togo et al.
SCRIPTA MATERIALIA (2015)
Electride support boosts nitrogen dissociation over ruthenium catalyst and shifts the bottleneck in ammonia synthesis
Masaaki Kitano et al.
NATURE COMMUNICATIONS (2015)
Mechanistic aspects of dinitrogen cleavage and hydrogenation to produce ammonia in catalysis and organometallic chemistry: relevance of metal hydride bonds and dihydrogen
Hong-Peng Jia et al.
CHEMICAL SOCIETY REVIEWS (2014)
Challenges in reduction of dinitrogen by proton and electron transfer
Cornelis J. M. van der Ham et al.
CHEMICAL SOCIETY REVIEWS (2014)
Implicit solvation model for density-functional study of nanocrystal surfaces and reaction pathways
Kiran Mathew et al.
JOURNAL OF CHEMICAL PHYSICS (2014)
Polarity-Reversed Robust Carrier Mobility in Monolayer MoS2 Nanoribbons
Yongqing Cai et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2014)
Single-Atom Catalysts: A New Frontier in Heterogeneous Catalysis
Xiao-Feng Yang et al.
ACCOUNTS OF CHEMICAL RESEARCH (2013)
Analytic Projection From Plane-Wave and PAW Wavefunctions and Application to Chemical-Bonding Analysis in Solids
Stefan Maintz et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2013)
Three-Dimensional Metallic Boron Nitride
Shunhong Zhang et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2013)
Mechanical stabilities of silicene
Qing Peng et al.
RSC ADVANCES (2013)
Two-Dimensional Transition Metal Carbides
Michael Naguib et al.
ACS NANO (2012)
CALYPSO: A method for crystal structure prediction
Yanchao Wang et al.
COMPUTER PHYSICS COMMUNICATIONS (2012)
Ammonia synthesis using a stable electride as an electron donor and reversible hydrogen store
Masaaki Kitano et al.
NATURE CHEMISTRY (2012)
A theoretical evaluation of possible transition metal electro-catalysts for N-2 reduction
Egill Skulason et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2012)
Carbon-free energy: a review of ammonia- and hydrazine-based electrochemical fuel cells
Neil V. Rees et al.
ENERGY & ENVIRONMENTAL SCIENCE (2011)
Crystal Orbital Hamilton Population (COHP) Analysis As Projected from Plane-Wave Basis Sets
Volker L. Deringer et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2011)
Single-atom catalysis of CO oxidation using Pt1/FeOx
Botao Qiao et al.
NATURE CHEMISTRY (2011)
Phonons in single-layer and few-layer MoS2 and WS2
A. Molina-Sanchez et al.
PHYSICAL REVIEW B (2011)
Crystal structure prediction via particle-swarm optimization
Yanchao Wang et al.
PHYSICAL REVIEW B (2010)
Nitrogen Cycle Electrocatalysis
Victor Rosca et al.
CHEMICAL REVIEWS (2009)
Comprehensive mechanism and structure-sensitivity of ethanol oxidation on platinum: New transition-state searching method for resolving the complex reaction network
Hui-Fang Wang et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2008)
An Earth-system perspective of the global nitrogen cycle
Nicolas Gruber et al.
NATURE (2008)
How a century of ammonia synthesis changed the world
Jan Willem Erisman et al.
NATURE GEOSCIENCE (2008)
Semiempirical GGA-type density functional constructed with a long-range dispersion correction
Stefan Grimme
JOURNAL OF COMPUTATIONAL CHEMISTRY (2006)
Electrolysis of water on (oxidized) metal surfaces
J Rossmeisl et al.
CHEMICAL PHYSICS (2005)
Origin of the overpotential for oxygen reduction at a fuel-cell cathode
JK Norskov et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2004)