Related references
Note: Only part of the references are listed.Interfacial Charge Transfer between Silver Phosphate and W2N3 Induced by Nitrogen Vacancies Enhances Removal of β-Lactam Antibiotics
Yan Lin et al.
ADVANCED FUNCTIONAL MATERIALS (2022)
Governing Interlayer Strain in Bismuth Nanocrystals for Efficient Ammonia Electrosynthesis from Nitrate Reduction
Ning Zhang et al.
ACS NANO (2022)
VASPKIT: A user-friendly interface facilitating high-throughput computing and analysis using VASP code
Vei Wang et al.
COMPUTER PHYSICS COMMUNICATIONS (2021)
Prediction of Dual-Doped Integrated CsPbBr3-CsPbCl3 Perovskite Heterostructure for Practical Photocatalytic Water Splitting with a New Descriptor
Hao Yuan et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2021)
Deep Learning Accelerated Determination of Hydride Locations in Metal Nanoclusters
Song Wang et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2021)
Design of Heterostructures of MXene/Two-Dimensional Organic Frameworks for Na-O2 Batteries with a New Mechanism and a New Descriptor
Yuxiang Min et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2021)
Heterogeneous single-cluster catalysts (Mn3, Fe3, Co3, and Mo3) supported on nitrogen-doped graphene for robust electrochemical nitrogen reduction
Guokui Zheng et al.
JOURNAL OF ENERGY CHEMISTRY (2021)
Electrochemical synthesis of urea on MBenes
Xiaorong Zhu et al.
NATURE COMMUNICATIONS (2021)
Interfacial Engineering of W2N/WC Heterostructures Derived from Solid-State Synthesis: A Highly Efficient Trifunctional Electrocatalyst for ORR, OER, and HER
Jinxiang Diao et al.
ADVANCED MATERIALS (2020)
Predicted Optimal Bifunctional Electrocatalysts for the Hydrogen Evolution Reaction and the Oxygen Evolution Reaction Using Chalcogenide Heterostructures Based on Machine Learning Analysis of in Silico Quantum Mechanics Based High Throughput Screening
Lei Ge et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2020)
MXene Materials for the Electrochemical Nitrogen Reduction-Functionalized or Not?
Luke R. Johnson et al.
ACS CATALYSIS (2020)
Atomic Structure Modification for Electrochemical Nitrogen Reduction to Ammonia
Xinrui Chen et al.
ADVANCED ENERGY MATERIALS (2020)
Design of a Graphene Nitrene Two-Dimensional Catalyst Heterostructure Providing a Well-Defined Site Accommodating One to Three Metals, with Application to CO2 Reduction Electrocatalysis for the Two-Metal Case
Shiqian Chen et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2020)
Synthesis and electrocatalytic applications of flower-like motifs and associated composites of nitrogen-enriched tungsten nitride (W2N3)
Sha Tan et al.
NANO RESEARCH (2020)
Highly Efficient Electrochemical Reduction of Nitrogen to Ammonia on Surface Termination Modified Ti3C2Tx MXene Nanosheets
Ying Guo et al.
ACS NANO (2020)
Prediction by Convolutional Neural Networks of CO2/N2Selectivity in Porous Carbons from N2Adsorption Isotherm at 77 K
Song Wang et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (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)
LOBSTER: Local orbital projections, atomic charges, and chemical-bonding analysis fromprojector-augmented-wave-baseddensity-functional theory
Ryky Nelson et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2020)
Confined Fe-Cu Clusters as Sub-Nanometer Reactors for Efficiently Regulating the Electrochemical Nitrogen Reduction Reaction
Xiaowei Wang et al.
ADVANCED MATERIALS (2020)
Descriptors for Hydrogen Evolution on Single Atom Catalysts in Nitrogen-Doped Graphene
Victor Fung et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2020)
Rational Prediction of Single Metal Atom Supported on Two-Dimensional Metal Diborides for Electrocatalytic N2 Reduction Reaction with Integrated Descriptor
Lei Ge et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2020)
Covalent surface modifications and superconductivity of two-dimensional metal carbide MXenes
Vladislav Kamysbayev et al.
SCIENCE (2020)
Design of a graphene nitrene two-dimensional catalyst providing a well-defined site accommodating up to three metals, with application to N2reduction electrocatalysis
Li Li et al.
CHEMICAL COMMUNICATIONS (2020)
Computational Discovery and Design of MXenes for Energy Applications: Status, Successes, and Opportunities
Cheng Zhan et al.
ACS APPLIED MATERIALS & INTERFACES (2019)
Universal Strategy for HF-Free Facile and Rapid Synthesis of Two-dimensional MXenes as Multifunctional Energy Materials
Sin-Yi Pang et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2019)
Building Up a Picture of the Electrocatalytic Nitrogen Reduction Activity of Transition Metal Single-Atom Catalysts
Xin Liu et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2019)
Nitrogen Vacancies on 2D Layered W2N3: A Stable and Efficient Active Site for Nitrogen Reduction Reaction
Huanyu Jin et al.
ADVANCED MATERIALS (2019)
A Cobalt-Iron Double-Atom Catalyst for the Oxygen Evolution Reaction
Lichen Bai et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2019)
A General Two-Step Strategy-Based High-Throughput Screening of Single Atom Catalysts for Nitrogen Fixation
Chongyi Ling et al.
SMALL METHODS (2019)
Chemical Pressure-Driven Enhancement of the Hydrogen Evolving Activity of Ni2P from Nonmetal Surface Doping Interpreted via Machine Learning
Robert B. Wexler et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2018)
Substantial Impact of Charge on Electrochemical Reactions of Two Dimensional Materials
Donghoon Kim et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2018)
Heterogeneous Fe-3 single-cluster catalyst for ammonia synthesis via an associative mechanism
Jin-Cheng Liu et al.
NATURE COMMUNICATIONS (2018)
A Review of Electrocatalytic Reduction of Dinitrogen to Ammonia under Ambient Conditions
Xiaoyang Cui et al.
ADVANCED ENERGY MATERIALS (2018)
Ultrastable In-Plane 1T-2H MoS2 Heterostructures for Enhanced Hydrogen Evolution Reaction
Shuai Wang et al.
ADVANCED ENERGY MATERIALS (2018)
Mechanistic Insights into Electrochemical Nitrogen Reduction Reaction on Vanadium Nitride Nanoparticles
Xuan Yang et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2018)
Single-Crystal Nitrogen-Rich Two-Dimensional Mo5N6 Nanosheets for Efficient and Stable Seawater Splitting
Huanyu Jin et al.
ACS NANO (2018)
Atmospheric-Pressure Synthesis of 2D Nitrogen-Rich Tungsten Nitride
Huimin Yu et al.
ADVANCED MATERIALS (2018)
Metal-Free Single Atom Catalyst for N2 Fixation Driven by Visible Light
Chongyi Ling et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2018)
A universal principle for a rational design of single-atom electrocatalysts
Haoxiang Xu et al.
NATURE CATALYSIS (2018)
Interaction trends between single metal atoms and oxide supports identified with density functional theory and statistical learning
Nolan J. O'Connor et al.
NATURE CATALYSIS (2018)
Grand canonical electronic density-functional theory: Algorithms and applications to electrochemistry
Ravishankar Sundararaman et al.
JOURNAL OF CHEMICAL PHYSICS (2017)
Confined Pyrolysis within Metal-Organic Frameworks To Form Uniform Ru3 Clusters for Efficient Oxidation of Alcohols
Shufang Ji et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2017)
Single-Atom Pt as Co-Catalyst for Enhanced Photocatalytic H2 Evolution
Xiaogang Li et al.
ADVANCED MATERIALS (2016)
LOBSTER: A Tool to Extract Chemical Bonding from Plane-Wave Based DFT
Stefan Maintz et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2016)
Conversion of Dinitrogen to Ammonia by FeN3-Embedded Graphene
Xiao-Fei Li et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2016)
The charge-asymmetric nonlocally determined local-electric (CANDLE) solvation model
Ravishankar Sundararaman et al.
JOURNAL OF CHEMICAL PHYSICS (2015)
Two-dimensional nanosheets of MoS2: a promising material with high dielectric properties and microwave absorption performance
Ming-Qiang Ning et al.
NANOSCALE (2015)
Implicit solvation model for density-functional study of nanocrystal surfaces and reaction pathways
Kiran Mathew et al.
JOURNAL OF CHEMICAL PHYSICS (2014)
The Haber-Bosch Process Revisited: On the Real Structure and Stability of Ammonia Iron under Working Conditions
Timur Kandemir et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (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)
Remarkable Performance of Ir1/FeOx Single-Atom Catalyst in Water Gas Shift Reaction
Jian Lin et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2013)
Number of outer electrons as descriptor for adsorption processes on transition metals and their oxides
Federico Calle-Vallejo et al.
CHEMICAL SCIENCE (2013)
Crystal Orbital Hamilton Population (COHP) Analysis As Projected from Plane-Wave Basis Sets
Volker L. Deringer et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2011)
N2 Reduction and Hydrogenation to Ammonia by a Molecular Iron-Potassium Complex
Meghan M. Rodriguez et al.
SCIENCE (2011)
How copper catalyzes the electroreduction of carbon dioxide into hydrocarbon fuels
Andrew A. Peterson et al.
ENERGY & ENVIRONMENTAL SCIENCE (2010)
A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
Stefan Grimme et al.
JOURNAL OF CHEMICAL PHYSICS (2010)
Increased Silver Activity for Direct Propylene Epoxidation via Subnanometer Size Effects
Y. Lei et al.
SCIENCE (2010)
Electric field effect in atomically thin carbon films
KS Novoselov et al.
SCIENCE (2004)
QSPR modeling of stability of complexes of adenosine phosphate derivatives with metals absent from the complexes of the teaching access
AA Toropov et al.
RUSSIAN JOURNAL OF COORDINATION CHEMISTRY (2001)