4.7 Article

Heterogeneous N-heterocyclic carbenes: Efficient and selective metal-free electrocatalysts for CO reduction to multi-carbon products

Related references

Note: Only part of the references are listed.
Article Multidisciplinary Sciences

Constrained C2 adsorbate orientation enables CO-to-acetate electroreduction

Jian Jin et al.

Summary: The carbon dioxide and carbon monoxide electroreduction reactions are promising pathways for decarbonization of chemical manufacture. By dispersing a low concentration of copper atoms in a host metal, acetate can be selectively synthesized from carbon monoxide. Through catalyst design and reactor engineering, high selectivity and Faradaic efficiency for acetate production have been achieved.

NATURE (2023)

Review Chemistry, Inorganic & Nuclear

Supports promote single-atom catalysts toward advanced electrocatalysis

Hui Xu et al.

Summary: Single-atom catalysts offer high reactivity and selectivity, but are susceptible to sintering and agglomerating. Introducing appropriate supports can optimize the local coordination environment and electronic properties, preventing sintering.

COORDINATION CHEMISTRY REVIEWS (2022)

Review Chemistry, Organic

Recent Progress on N-heterocyclic Carbene Catalysts in Chemical Fixation of CO2

Peibo Chen et al.

Summary: This review focuses on the application of N-heterocyclic carbene and related complexes in the chemical fixation of carbon dioxide. Various technologies, including carbene-metal catalytic system, carbene-free-metal catalytic system, and synergistic catalytic technology, are discussed. The possible role of carbene materials in chemical carbon fixation is explored by analyzing typical mechanisms.

ASIAN JOURNAL OF ORGANIC CHEMISTRY (2022)

Article Chemistry, Applied

Tuning precise numbers of supported nickel clusters on graphdiyne for efficient CO2 electroreduction toward various multi-carbon products

Meiqi Yang et al.

Summary: Supported Ni clusters on graphdiyne were investigated for CO2 reduction reaction (CO2RR) through density functional theory calculations. The anchored Ni-4 cluster exhibited high CO2RR catalytic activity, making it a promising catalyst with high efficiency and selectivity.

JOURNAL OF ENERGY CHEMISTRY (2022)

Article Chemistry, Physical

In silico design of dual-doped nitrogenated graphene (C2N) employed in electrocatalytic reduction of carbon monoxide to ethylene

Honglei Wang et al.

Summary: This paper reports and discusses a nitrogenated graphene-based electrocatalyst doped with heteroatoms, which can efficiently catalyze the reduction of carbon monoxide (CO) and has potential application value.

JOURNAL OF MATERIALS CHEMISTRY A (2022)

Article Chemistry, Physical

Selective bimetallic sites supported on graphene as a promising catalyst for CO2 Reduction: A first-principles study

Run Zhang et al.

Summary: In this study, the CO2 reduction reaction (CRR) processes of three different bimetal doped graphenes were explored using density functional theory calculations. The energy and overpotential of different intermediates were analyzed. The results confirm the CO2 capture ability of all the studied bimetal doped graphene systems, with Cu_Ni/DG having a particularly low overpotential.

APPLIED SURFACE SCIENCE (2022)

Article Chemistry, Physical

Asymmetrical C-C Coupling for Electroreduction of CO on Bimetallic Cu-Pd Catalysts

Hao Shen et al.

Summary: This study reports the selective reduction of CO to acetate using Cu-Pd bimetallic electrocatalysts and explores the underlying mechanism. The results demonstrate that the bimetallic catalyst exhibits high activity and selectivity for the conversion of CO to acetate.

ACS CATALYSIS (2022)

Review Chemistry, Multidisciplinary

Challenges and Opportunities in Electrocatalytic CO2 Reduction to Chemicals and Fuels

Xiaojie She et al.

Summary: This review discusses the practical challenges in the industrial chain that hinder the scaling-up deployment of the ECO2R technology. High Faradaic efficiencies and current densities have been achieved for the ECO2R to CO/HCOOH and ECO2R to C2H4 reactions, indicating that ECO2R may have reached the stage for scale-up. The aim is to provide insights that can accelerate the development of the ECO2R technology.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2022)

Article Chemistry, Physical

Supported Cu3 clusters on graphitic carbon nitride as an efficient catalyst for CO electroreduction to propene

Yuting Sun et al.

Summary: In this study, the catalytic performance of several sub-nano Cu clusters supported by graphitic carbon nitride for COER was explored using density functional theory computations. The results showed that the anchored Cu-3 cluster on g-C3N4 exhibited high COER activity and efficient production of multi-carbon products. These findings provide useful guidance for the further design of sub-nano cluster-based catalysts.

JOURNAL OF MATERIALS CHEMISTRY A (2022)

Article Chemistry, Physical

Enhancing mechanism of electron-deficient p states on photocatalytic activity of g-C3N4 for CO2 reduction

Fu-li Sun et al.

Summary: By utilizing DFT calculations and AIMD simulations, the photocatalytic activity of B/N2(V)-pg-C3N4 for CO2 reduction was systematically investigated. It was found that B/N2(V)-pg-C3N4 had a smaller band gap and could selectively catalyze CO2 into HCOOH and HCHO. The unique electronic-deficient p states and curved geometry of B/N2(V)-pg-C3N4 contributed to its excellent photocatalytic performance.

JOURNAL OF MATERIALS CHEMISTRY A (2022)

Article Chemistry, Multidisciplinary

Construction of Six-Oxygen-Coordinated Single Ni Sites on g-C3N4 with Boron-Oxo Species for Photocatalytic Water-Activation-Induced CO2 Reduction

Yuying Wang et al.

Summary: The configuration regulation of single-atom photocatalysts plays a crucial role in the interfacial charge transfer and catalytic process for CO2 reduction. This study successfully anchored single Ni atoms onto g-C3N4 nanosheets, providing a highly efficient photocatalyst for aqueous CO2 reduction. Various experimental techniques revealed that the six-oxygen-coordinated single Ni (II) sites can efficiently capture photoelectrons and activate water molecules to induce a hydrogen-assisted CO2 reduction.

ADVANCED MATERIALS (2021)

Article Multidisciplinary Sciences

Photocatalytic conversion of CO to fuels with water by B-doped graphene/g-C3N4 heterostructure

Li Shi et al.

Summary: The study proposed a new method for CO reduction using a metal-free composite photocatalyst with boron-doped graphene/g-C3N4 heterostructure, demonstrating its effectiveness through experiments and calculations. This method not only improves the selectivity of CO reduction, but also achieves the conversion of CO2 to multi-carbon products while reducing energy consumption.

SCIENCE BULLETIN (2021)

Review Chemistry, Multidisciplinary

Carbon-based metal-free electrocatalysts: from oxygen reduction to multifunctional electrocatalysis

Chuangang Hu et al.

Summary: Since the discovery of N-doped carbon nanotubes as the first carbon-based metal-free electrocatalyst for oxygen reduction reaction in 2009, C-MFECs have shown multifunctional electrocatalytic activities for various reactions. While some C-MFECs have demonstrated comparable or superior performance to those based on noble metals, further research and development are required for practical applications in energy conversion and storage. The structure-property relationship and mechanistic understanding of C-MFECs, along with current challenges and future perspectives, are key areas of focus for advancing this field.

CHEMICAL SOCIETY REVIEWS (2021)

Article Multidisciplinary Sciences

Selective reduction of CO to acetaldehyde with CuAg electrocatalysts

Lei Wang et al.

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2020)

Article Chemistry, Multidisciplinary

Large-Scale Synthesis of a New Polymeric Carbon Nitride-C3N3 with Good Photoelectrochemical Performance

Jiaxin Feng et al.

ADVANCED FUNCTIONAL MATERIALS (2020)

Review Chemistry, Multidisciplinary

Theoretical insights into single-atom catalysts

Lulu Li et al.

CHEMICAL SOCIETY REVIEWS (2020)

Review Chemistry, Multidisciplinary

C2N: A Class of Covalent Frameworks with Unique Properties

Zhihong Tian et al.

ADVANCED SCIENCE (2020)

Review Chemistry, Multidisciplinary

Electrocatalytic CO2 Reduction to Fuels: Progress and Opportunities

Joaquin Resasco et al.

TRENDS IN CHEMISTRY (2020)

Article Chemistry, Multidisciplinary

Electrochemical CO Reduction: A Property of the Electrochemical Interface

Alexander Bagger et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2019)

Article Chemistry, Physical

CO Electroreduction: Current Development and Understanding of Cu-Based Catalysts

Haochen Zhang et al.

ACS CATALYSIS (2019)

Article Chemistry, Physical

Carbon monoxide electroreduction as an emerging platform for carbon utilization

Matthew Jouny et al.

NATURE CATALYSIS (2019)

Review Chemistry, Multidisciplinary

Electronic Properties of N-Heterocyclic Carbenes and Their Experimental Determination

Han Vinh Huynh

CHEMICAL REVIEWS (2018)

Review Chemistry, Multidisciplinary

Cu-based nanocatalysts for electrochemical reduction of CO2

Huan Xie et al.

NANO TODAY (2018)

Article Chemistry, Physical

High-rate electroreduction of carbon monoxide to multi-carbon products

Matthew Jouny et al.

NATURE CATALYSIS (2018)

Article Chemistry, Multidisciplinary

Atomistic Mechanisms Underlying Selectivities in C1 and C2 Products from Electrochemical Reduction of CO on Cu(111)

Hai Xiao et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2017)

Article Chemistry, Multidisciplinary

A Kinetic Pathway toward High-Density Ordered N Doping of Epitaxial Graphene on Cu(111) Using C5NCl5 Precursors

Ping Cui et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2017)

Article Chemistry, Multidisciplinary

Theoretical Investigations of the Electrochemical Reduction of CO on Single Metal Atoms Embedded in Graphene

Charlotte Kirk et al.

ACS CENTRAL SCIENCE (2017)

Review Chemistry, Multidisciplinary

Metal-Free Carbon Materials for CO2 Electrochemical Reduction

Xiaochuan Duan et al.

ADVANCED MATERIALS (2017)

Article Chemistry, Multidisciplinary

Trapping CO2 by Adduct Formation with Nitrogen Heterocyclic Carbenes (NHCs): A Theoretical Study

Ibon Alkorta et al.

CHEMISTRY-A EUROPEAN JOURNAL (2017)

Review Chemistry, Multidisciplinary

Cu and Cu-Based Nanoparticles: Synthesis and Applications in Review Catalysis

Manoj B. Gawande et al.

CHEMICAL REVIEWS (2016)

Article Chemistry, Physical

Implicit solvation model for density-functional study of nanocrystal surfaces and reaction pathways

Kiran Mathew et al.

JOURNAL OF CHEMICAL PHYSICS (2014)

Review Multidisciplinary Sciences

An overview of N-heterocyclic carbenes

Matthew N. Hopkinson et al.

NATURE (2014)

Article Chemistry, Physical

Recent progress in catalytic conversions of carbon dioxide

Chihiro Maeda et al.

CATALYSIS SCIENCE & TECHNOLOGY (2014)

Article Chemistry, Multidisciplinary

Nitrogen-Doped Fullerene as a Potential Catalyst for Hydrogen Fuel Cells

Feng Gao et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2013)

Article Chemistry, Physical

Canonical sampling through velocity rescaling

Giovanni Bussi et al.

JOURNAL OF CHEMICAL PHYSICS (2007)

Review Chemistry, Multidisciplinary

N-heterocyclic carbenes as organocatalysts

Nicolas Marion et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2007)

Review Chemistry, Inorganic & Nuclear

Novel group 14 nitrides

E Kroke et al.

COORDINATION CHEMISTRY REVIEWS (2004)

Article Chemistry, Physical

Origin of the overpotential for oxygen reduction at a fuel-cell cathode

JK Norskov et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2004)