Theoretical Study on the Synthesis of Urea by Electrochemical Nitrate and Carbon Dioxide over COF Series Catalysts

Mechanistic Understanding of the Electrocatalytic Nitrate Reduction Activity of Double-Atom Catalysts

(2023) Nadaraj Sathishkumar et al.   Journal of Physical Chemistry C

A Defect Engineered Electrocatalyst that Promotes High-Efficiency Urea Synthesis under Ambient Conditions

(2022) Chade Lv et al.   ACS Nano

Local Spin‐state Tuning of Iron Single‐Atom Electrocatalyst by S‐coordinated Doping for Kinetics‐boosted Ammonia Synthesis

(2022) Yan Li et al.   ADVANCED MATERIALS

Structural Regulation of Coupled Phthalocyanine‐Porphyrin Covalent Organic Frameworks to Highly Active and Selective Electrocatalytic CO 2 Reduction

(2022) Junjie Yuan et al.   ADVANCED MATERIALS

Lattice‐Confined Single‐Atom Fe 1 S x on Mesoporous TiO 2 for Boosting Ambient Electrocatalytic N 2 Reduction Reaction

(2022) Jiayin Chen et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Outstanding Charge Mobility by Band Transport in Two-Dimensional Semiconducting Covalent Organic Frameworks

(2022) Shuai Fu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Toward Rational Design of Dual-Metal-Site Catalysts: Catalytic Descriptor Exploration

(2022) Chuanyi Jia et al.   ACS Catalysis

Highly Durable and Selective Fe- and Mo-Based Atomically Dispersed Electrocatalysts for Nitrate Reduction to Ammonia via Distinct and Synergized NO2– Pathways

(2022) Eamonn Murphy et al.   ACS Catalysis

Understanding the CH4 Conversion over Metal Dimers from First Principles

(2022) Haihong Meng et al.   Nanomaterials

Rational design and modulation strategies of Mo-based electrocatalysts and photo/electrocatalysts towards nitrogen reduction to ammonia (NH3)

(2022) Muhammad Arif et al.   CHEMICAL ENGINEERING JOURNAL

Oxygen Vacancy-Mediated Selective C–N Coupling toward Electrocatalytic Urea Synthesis

(2022) Xiaoxiao Wei et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Tuning the Coordination Structure of CuNC Single Atom Catalysts for Simultaneous Electrochemical Reduction of CO 2 and NO 3 – to Urea

(2022) Josh Leverett et al.   Advanced Energy Materials

Accelerating Electron‐Transfer Dynamics by TiO 2 ‐Immobilized Reversible Single‐Atom Copper for Enhanced Artificial Photosynthesis of Urea

(2022) Dong Li et al.   ADVANCED MATERIALS

Mechanism of C-N bonds formation in electrocatalytic urea production revealed by ab initio molecular dynamics simulation

(2022) Xin Liu et al.   Nature Communications

Mechanistic insights into CO2 conversion chemistry of copper bis-(terpyridine) molecular electrocatalyst using accessible operando spectrochemistry

(2022) Huihui Zhang et al.   Nature Communications

Identifying and tailoring C–N coupling site for efficient urea synthesis over diatomic Fe–Ni catalyst

(2022) Xiaoran Zhang et al.   Nature Communications

High-throughput identification of highly active and selective single-atom catalysts for electrochemical ammonia synthesis through nitrate reduction

(2022) Shuo Wang et al.   Nano Energy

High-throughput screening to predict highly active dual-atom catalysts for electrocatalytic reduction of nitrate to ammonia

(2022) Faisal Rehman et al.   Nano Energy

Electrocatalytic CO2 Reduction Activity Over Transition Metal Anchored on Nitrogen-Doped Carbon: A Density Functional Theory Investigation

(2021) Yu Han et al.   CATALYSIS LETTERS

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

(2021) Xingshuai Lv et al.   NANO LETTERS

Highly dispersed cobalt phthalocyanine on nitrogen-doped carbon towards electrocatalytic reduction of CO2 to CO

(2021) Jingjing Ma et al.   IONICS

Theoretical Insight on Highly Efficient Electrocatalytic CO2 Reduction Reaction of Monoatom Dispersion Catalyst (Metal-Nitrogen-Carbon)

(2021) Zhijia Zhang et al.   Electrocatalysis

Identification of M‐NH 2 ‐NH 2 Intermediate and Rate Determining Step for Nitrogen Reduction with Bioinspired Sulfur‐Bonded FeW Catalyst

(2021) Yilong Zhao et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Porphyrin- and phthalocyanine-based porous organic polymers: From synthesis to application

(2021) Wenyan Ji et al.   COORDINATION CHEMISTRY REVIEWS

Selective electrocatalytic synthesis of urea with nitrate and carbon dioxide

(2021) Chade Lv et al.   Nature Sustainability

Ionic Covalent Organic Frameworks for Energy Devices

(2021) Xiaoguang Liang et al.   ADVANCED MATERIALS

Solar Urea: Towards a Sustainable Fertilizer Industry

(2021) Meikun Xia et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Effect of N-doping on graphene: NRR activity and N-source

(2021) Fei Wang et al.   DIAMOND AND RELATED MATERIALS

Computational Screening of High Activity and Selectivity TM/g-C3N4 Single-Atom Catalysts for Electrocatalytic Reduction of Nitrates to Ammonia

(2021) Lingling Lv et al.   Journal of Physical Chemistry Letters

The Importance of Molybdenum(IV) Active Sites in Promoting Electrochemical Reduction of N2 to NH3 with MoFe Bimetallic Catalysts

(2021) Kai Li et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

Refining Energy Levels in ReS 2 Nanosheets by Low‐Valent Transition‐Metal Doping for Dual‐Boosted Electrochemical Ammonia/Hydrogen Production

(2020) Feili Lai et al.   ADVANCED FUNCTIONAL MATERIALS

Unveiling the Activity Origin of a Copper-based Electrocatalyst for Selective Nitrate Reduction to Ammonia

(2020) Yuting Wang et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Fe doping promoted electrocatalytic N2 reduction reaction of 2H MoS2

(2020) Jiaojiao Guo et al.   CHINESE CHEMICAL LETTERS

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

Efficient Ammonia Electrosynthesis from Nitrate on Strained Ruthenium Nanoclusters

(2020) Jie Li et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Ultrathin porphyrin and tetra-indole covalent organic frameworks for organic electronics applications

(2020) Orestis George Ziogos et al.   JOURNAL OF CHEMICAL PHYSICS

Electrochemical reduction of nitrate to ammonia via direct eight-electron transfer using a copper–molecular solid catalyst

(2020) Gao-Feng Chen et al.   Nature Energy

Oxygen vacancies enhanced cooperative electrocatalytic reduction of carbon dioxide and nitrite ions to urea

(2020) Na Cao et al.   JOURNAL OF COLLOID AND INTERFACE SCIENCE

Te-Doped Pd Nanocrystal for Electrochemical Urea Production by Efficiently Coupling Carbon Dioxide Reduction with Nitrite Reduction

(2020) Yonggang Feng et al.   NANO LETTERS

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

(2020) Huan Niu et al.   ADVANCED FUNCTIONAL MATERIALS

Highly efficient and selective CO2 electro-reduction with atomic Fe-C-N hybrid coordination on porous carbon nematosphere

(2019) Haixia Zhong et al.   Nano Research

Electrochemical synthesis of ammonia as a potential alternative to the Haber–Bosch process

(2019) Grigorii Soloveichik   Nature Catalysis

Adsorption of Urea over Transition Metal-Doped Graphene: A DFT Study

(2019) Rajan Singh et al.   JOURNAL OF ELECTRONIC MATERIALS

Advances and challenges in understanding the electrocatalytic conversion of carbon dioxide to fuels

(2019) Yuvraj Y. Birdja et al.   Nature Energy

Electroreduction of CO2 on Single-Site Copper-Nitrogen-Doped Carbon Material: Selective Formation of Ethanol and Reversible Restructuration of the Metal Sites

(2019) Dilan Karapinar et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Oriented Two-Dimensional Covalent Organic Framework Films for Near-Infrared Electrochromic Application

(2019) Qing Hao et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Electrocatalytic reduction of nitrate: Fundamentals to full-scale water treatment applications

(2018) Sergi Garcia-Segura et al.   APPLIED CATALYSIS B-ENVIRONMENTAL

Selective Electrocatalytic Reduction of Nitrite to Dinitrogen Based on Decoupled Proton–Electron Transfer

(2018) Daoping He et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Oriented electron transmission in polyoxometalate-metalloporphyrin organic framework for highly selective electroreduction of CO2

(2018) Yi-Rong Wang et al.   Nature Communications

Tailoring Metalloporphyrin Frameworks for an Efficient Carbon Dioxide Electroreduction: Selectively Stabilizing Key Intermediates with H-Bonding Pockets

(2017) Sippakorn Wannakao et al.   INORGANIC CHEMISTRY

Ammonia Electrosynthesis with High Selectivity under Ambient Conditions via a Li+ Incorporation Strategy

(2017) Gao-Feng Chen et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Thirty years of density functional theory in computational chemistry: an overview and extensive assessment of 200 density functionals

(2017) Narbe Mardirossian et al.   MOLECULAR PHYSICS

Materials for solar fuels and chemicals

(2017) Joseph H. Montoya et al.   NATURE MATERIALS

Sources and mechanisms of nitrate and orthophosphate transport in urban stormwater runoff from residential catchments

(2017) Yun-Ya Yang et al.   WATER RESEARCH

Supported Cobalt Polyphthalocyanine for High-Performance Electrocatalytic CO 2 Reduction

(2017) Na Han et al.   Chem

Electrochemical Reduction of N2under Ambient Conditions for Artificial N2Fixation and Renewable Energy Storage Using N2/NH3Cycle

(2016) Di Bao et al.   ADVANCED MATERIALS

Recent Advances in Inorganic Heterogeneous Electrocatalysts for Reduction of Carbon Dioxide

(2016) Dong Dong Zhu et al.   ADVANCED MATERIALS

Simultaneous electrocatalytic reduction of dinitrogen and carbon dioxide on conducting polymer electrodes

(2016) Didem Balun Kayan et al.   APPLIED CATALYSIS B-ENVIRONMENTAL

Nitrate pollution of groundwater; all right…, but nothing else?

(2016) Anna Menció et al.   SCIENCE OF THE TOTAL ENVIRONMENT

Highly Regioselective Iodination of N-Phenylureas with Iodine/Trichloroisocyanuric Acid

(2016) Lúcia de Aguiar et al.   SYNTHESIS-STUTTGART

First-principles investigation of the activation of CO2 molecule on TM/Cu (TM=Fe, Co and Ni) surface alloys

(2015) Mei Qiu et al.   APPLIED SURFACE SCIENCE

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

(2015) Joseph H. Montoya et al.   ChemSusChem

Porous Metalloporphyrinic Frameworks Constructed from Metal 5,10,15,20-Tetrakis(3,5-biscarboxylphenyl)porphyrin for Highly Efficient and Selective Catalytic Oxidation of Alkylbenzenes

(2012) Xiu-Li Yang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Rectangular-Shaped Expanded Phthalocyanines with Two Central Metal Atoms

(2012) Osamu Matsushita et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Theoretical design and experimental implementation of Ag/Au electrodes for the electrochemical reduction of nitrate

(2012) Federico Calle-Vallejo et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

A metalloporphyrin functionalized metal–organic framework for selective oxidization of styrene

(2011) Ming-Hua Xie et al.   CHEMICAL COMMUNICATIONS

DFT studies of dry reforming of methane on Ni catalyst

(2009) Yi-An Zhu et al.   CATALYSIS TODAY