Understanding the water molecule effect in metal-free B-based electrocatalysts for electrochemical CO2 reduction

First-Principles Study of C–C Coupling Pathways for CO2 Electrochemical Reduction Catalyzed by Cu(110)

(2021) Tung-Chun Kuo et al.   Journal of Physical Chemistry C

Quantitative Insights into the Reaction Mechanism for the Direct Synthesis of H2O2 over Transition Metals: Coverage-Dependent Microkinetic Modeling

(2021) Zihao Yao et al.   ACS Catalysis

Synergistic Effect of Boron Nitride and Carbon Domains in Boron Carbide Nitride Nanotube Supported Single Atom Catalysts for Efficient Nitrogen Fixation

(2021) Shaobin Tang et al.   CHEMISTRY-A EUROPEAN JOURNAL

Water enables mild oxidation of methane to methanol on gold single-atom catalysts

(2021) Laihao Luo et al.   Nature Communications

Dual-atom active sites embedded in two-dimensional C2N for efficient CO2 electroreduction: A computational study

(2021) Haimei Liu et al.   Journal of Energy Chemistry

The Emergence and Evolution of Borophene

(2021) Meitong Ou et al.   Advanced Science

Remarkable-cycling-performance anode for Li-ion battery: The bilayer β-bismuthene

(2021) Chunmei Tang et al.   ELECTROCHIMICA ACTA

Mechanisms and Properties of Bismuthene and Graphene/Bismuthene Heterostructures as Anodes of Lithium-/Sodium-Ion Batteries by First-Principles Study

(2021) Mei Ai et al.   Journal of Physical Chemistry C

Boron Dopant Induced Electron‐Rich Bismuth for Electrochemical CO 2 Reduction with High Solar Energy Conversion Efficiency

(2021) Xin Chen et al.   Small

Comprehensive Mechanism of CO2 Electroreduction toward Ethylene and Ethanol: The Solvent Effect from Explicit Water–Cu(100) Interface Models

(2021) Jirapat Santatiwongchai et al.   ACS Catalysis

Borophene: Two-dimensional Boron Monolayer: Synthesis, Properties, and Potential Applications

(2021) Yusuf Valentino Kaneti et al.   CHEMICAL REVIEWS

Direct production of biodiesel from crude Euphorbia lathyris L. Oil catalyzed by multifunctional mesoporous composite materials

(2021) Hu Pan et al.   FUEL

Ni-Fe-Ce hydrotalcite-derived structured reactor as catalyst for efficient steam reforming of toluene

(2021) Siqian Zhang et al.   FUEL PROCESSING TECHNOLOGY

Synthesis of bilayer borophene

(2021) Caiyun Chen et al.   Nature Chemistry

Accelerating CO 2 Electroreduction to CO Over Pd Single‐Atom Catalyst

(2020) Qun He et al.   ADVANCED FUNCTIONAL MATERIALS

Electron configuration modulation of Ni single-atoms for remarkably elevated photocatalytic hydrogen evolution

(2020) Xixiong Jin et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Phosphorene‐based Electrocatalysts

(2020) Khang Ngoc Dinh et al.   CHEMISTRY-A EUROPEAN JOURNAL

Unveiling the Active Structure of Single Nickel Atom Catalysis: Critical Roles of Charge Capacity and Hydrogen Bonding

(2020) Xunhua Zhao et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Molecular enhancement of heterogeneous CO2 reduction

(2020) Dae-Hyun Nam et al.   NATURE MATERIALS

Rare-Earth Single Erbium Atoms for Enhanced Photocatalytic CO2 Reduction

(2020) Shufang Ji et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Defective Carbon-Doped Boron Nitride Nanosheets for Highly Efficient Electrocatalytic Conversion of N2 to NH3

(2020) Zhen Liu et al.   ACS Sustainable Chemistry & Engineering

Synthesis of Ag-Doped Polyoxotitanium Nanoclusters for Efficient Electrocatalytic CO2 Reduction

(2020) Ya-Jie Liu et al.   INORGANIC CHEMISTRY

Optical properties enhancement of buckled Bismuthene in mid-infrared region: a theoretical first-principle study

(2020) Zhenlu Sun et al.   MOLECULAR SIMULATION

Hexagonal Boron Nitride as a Multifunctional Support for Engineering Efficient Electrocatalysts towards Oxygen Reduction Reaction

(2020) Yaping Chen et al.   NANO LETTERS

Phosphorus-Based Electrocatalysts: Black Phosphorus, Metal Phosphides, and Phosphates

(2020) Xin Li et al.   Advanced Materials Interfaces

Adsorption-enhanced nitrogen-doped mesoporous CeO2 as an efficient visible-light-driven catalyst for CO2 photoreduction

(2020) Zhangfeng Shen et al.   Journal of CO2 Utilization

Design of a Single‐Atom Indium δ+ –N 4 Interface for Efficient Electroreduction of CO 2 to Formate

(2020) Huishan Shang et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

CO2 thermoreduction to methanol on the MoS2 supported single Co atom catalyst: A DFT study

(2020) Zhansheng Lu et al.   APPLIED SURFACE SCIENCE

Defect‐Enhanced CO 2 Reduction Catalytic Performance in O‐Terminated MXenes

(2020) Hetian Chen et al.   ChemSusChem

Bismuthene: Epitaxially grown on MoTe2 and its grain boundary

(2020) Xinxin Wang et al.   JOURNAL OF CRYSTAL GROWTH

Electronic and photocatalytic properties of Antimonene nanosheets

(2020) Alireza Kokabi et al.   PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES

A first-principles study of reaction mechanism over carbon decorated oxygen-deficient TiO2 supported Pd catalyst in direct synthesis of H2O2

(2020) Zihao Yao et al.   CHINESE JOURNAL OF CHEMICAL ENGINEERING

Stabilizing Cu+ in Cu/SiO2 Catalysts with a Shattuckite-Like Structure Boosts CO2 Hydrogenation into Methanol

(2020) Jiafeng Yu et al.   ACS Catalysis

Single-metal-atom catalysts: An emerging platform for electrocatalytic oxygen reduction

(2020) Yong Wang et al.   CHEMICAL ENGINEERING JOURNAL

Copper atom-pair catalyst anchored on alloy nanowires for selective and efficient electrochemical reduction of CO2

(2019) Jiqing Jiao et al.   Nature Chemistry

Electrochemical Reduction of CO2 to Formate on Easily Prepared Carbon-Supported Bi Nanoparticles

(2019) Beatriz Ávila-Bolívar et al.   MOLECULES

Single and double boron atoms doped nanoporous C2N–h2D electrocatalysts for highly efficient N2 reduction reaction: a density functional theory study

(2019) Yongyong Cao et al.   NANOTECHNOLOGY

Quantitative Determination of C-C Coupling Mechanisms and Detailed Analyses on the Activity and Selectivity for Fischer-Tropsch Synthesis on Co(0001): Microkinetic Modelling with Coverage Effects

(2019) Zihao Yao et al.   ACS Catalysis

Single-atom tailoring of platinum nanocatalysts for high-performance multifunctional electrocatalysis

(2019) Mufan Li et al.   Nature Catalysis

Borophene: A Metal‐free and Metallic Electrocatalyst for Efficient Converting CO 2 into CH 4

(2019) Gangqiang Qin et al.   ChemCatChem

Metal-Free Boron Nitride Nanoribbon Catalysts for Electrochemical CO2 Reduction: Combining High Activity and Selectivity

(2018) Shaobin Tang et al.   ACS Applied Materials & Interfaces

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

Nanosheet Supported Single-Metal Atom Bifunctional Catalyst for Overall Water Splitting

(2017) Chongyi Ling et al.   NANO LETTERS

Single Atom (Pd/Pt) Supported on Graphitic Carbon Nitride as an Efficient Photocatalyst for Visible-Light Reduction of Carbon Dioxide

(2016) Guoping Gao et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Enhanced electrocatalytic CO2 reduction via field-induced reagent concentration

(2016) Min Liu et al.   NATURE

Active and Selective Conversion of CO2 to CO on Ultrathin Au Nanowires

(2014) Wenlei Zhu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

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

(2011) Botao Qiao et al.   Nature Chemistry

How copper catalyzes the electroreduction of carbon dioxide into hydrocarbon fuels

(2010) Andrew A. Peterson et al.   Energy & Environmental Science

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

(2010) Stefan Grimme et al.   JOURNAL OF CHEMICAL PHYSICS