Article Screening and mechanistic study of bimetallic catalysts for the electrosynthesis of urea from carbon dioxide and dinitrogen

Article Medicine, Research & Experimental

A Novel Small Cyclic Peptide-Based 68Ga-Radiotracer for Positron Emission Tomography Imaging of PD-L1 Expression in Tumors

Hanxiang Liu et al.

Summary: In this study, a novel PET/CT detection method targeting PD-L1 was designed and validated through experiments, demonstrating its feasibility and accuracy in dynamically monitoring the expression of PD-L1 in tumors.

MOLECULAR PHARMACEUTICS (2022)

添加到收藏夹

Article Chemistry, Multidisciplinary

Double metal synergistic synthetic urea: an electrocatalytic study

Zhijia Zhang et al.

Summary: This paper focuses on the synthesis of urea under the synergistic effects of bimetallics in electrocatalysis. Heteronuclear diatomic molecular catalysts were designed and screened, and theoretical simulation provided detailed information about reaction mechanisms and energy. The NbVN6C catalyst was found to be the best catalyst, and heteronuclear diatomic molecular catalysts were demonstrated to be superior to homonuclear diatomic catalysts.

NEW JOURNAL OF CHEMISTRY (2022)

添加到收藏夹

Article Chemistry, Physical

Nitrogen reduction reaction on single cluster catalysts of defective PC6-trimeric or tetrameric transition metal

Peiyuan Du et al.

Summary: The traditional Haber-Bosch method for ammonia synthesis is inefficient and can lead to greenhouse gas emission. Nitrogen reduction reaction in a mild environment has been developed, but faces challenges such as inert N-N triple bond and competition with hydrogen evolution reaction. By investigating PC6 monolayers and transition metal catalysts, effective catalysts with low overpotential, multiple active sites, and superior activity for N-2 reduction to NH3 are identified.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2022)

添加到收藏夹

Review Chemistry, Multidisciplinary

Atomically Dispersed Heteronuclear Dual-Atom Catalysts: A New Rising Star in Atomic Catalysis

Tianwei He et al.

Summary: This review summarizes the latest research progress on heteronuclear dual-atom catalysts, including theoretical predictions, experimental constructions, synthetic strategies, and characterization techniques. It also discusses the current challenges and future prospects of HDACs for energy-related applications, aiming to inspire the design and synthesis of highly effective next-generation HDACs.

SMALL (2022)

添加到收藏夹

Article Chemistry, Multidisciplinary

Non-metal boron atoms on a CuB12 monolayer as efficient catalytic sites for urea production

Changyan Zhu et al.

Summary: This study identified a highly stable global-minimum CuB12 monolayer as a promising non-metal catalytic site for urea production through first-principles computations. The research systematically investigated various reaction pathways and highlighted the significant role of non-metal B atoms as excellent catalytic sites in the formation of urea.

CHEMICAL SCIENCE (2022)

添加到收藏夹

Article Chemistry, Multidisciplinary

Establishing the Principal Descriptor for Electrochemical Urea Production via the Dispersed Dual-Metals Anchored on the N-Decorated Graphene

Changyan Zhu et al.

Summary: This study investigates the synthesis of urea using dispersed dual-metals anchored on N-doped graphene as electrocatalysts. By screening 72 stable systems and establishing linear correlations between computed Gibbs free energy and other important factors, the study identifies the principal descriptor and its effective range.

ADVANCED SCIENCE (2022)

添加到收藏夹

Article Chemistry, Physical

Direct Electrosynthesis of Urea from Carbon Dioxide and Nitric Oxide

Yanmei Huang et al.

Summary: Electrochemical synthesis of urea is a sustainable strategy that utilizes abundant and low-cost inorganic carbon and nitrogen sources through advanced electrocatalytic processes to achieve efficient urea generation.

ACS ENERGY LETTERS (2022)

添加到收藏夹

Article Chemistry, Multidisciplinary

Understanding the Site-Selective Electrocatalytic Co-Reduction Mechanism for Green Urea Synthesis Using Copper Phthalocyanine Nanotubes

Jit Mukherjee et al.

Summary: This study reports the green synthesis of urea under ambient conditions by electrochemical co-reduction of N-2 and CO2 gases using copper phthalocyanine nanotubes (CuPc NTs) as an efficient electrocatalyst. The CuPc NTs have multiple active sites that can effectively reduce N-2 and CO2 gas molecules to urea. The findings provide new mechanistic insight for the development of efficient noble metal-free electrocatalysts for the synthesis of green urea.

ADVANCED FUNCTIONAL MATERIALS (2022)

添加到收藏夹

Article Chemistry, Physical

Computational Screening of Single and Di-Atom Catalysts for Electrochemical CO2 Reduction

Naiwrit Karmodak et al.

Summary: In this study, computational screening and analysis were conducted to investigate the catalytic activity of single and di-atom catalysts on nitrogen-doped graphene for CO2 reduction. The research identified high-efficiency catalysts and studied their behavior and binding motifs.

ACS CATALYSIS (2022)

添加到收藏夹

Review Chemistry, Multidisciplinary

Construction of C-N bonds from small-molecule precursors through heterogeneous electrocatalysis

Junnan Li et al.

Summary: Energy-intensive thermochemical processes in chemical manufacturing contribute significantly to global CO2 emissions. To achieve sustainability, scientists are developing renewable energy-powered electrochemical technologies as alternatives. This review focuses on the emerging area of heterogeneous electrocatalysis for C-N bond formation.

NATURE REVIEWS CHEMISTRY (2022)

添加到收藏夹

Article Nanoscience & Nanotechnology

Computational Insight into Metallated Graphynes as Single Atom Electrocatalysts for Nitrogen Fixation

Xiuli Hu et al.

Summary: The electrochemical nitrogen reduction reaction (NRR) holds great potential for sustainable ammonia synthesis, but high-quality catalysts are still lacking. In this study, we conducted a comprehensive first-principles investigation of transition metal-1,3,5-triethynylbenzene (TM-TEB) systems and found that TM = V, Mo, Tc, W, and Os exhibit high NRR catalytic activity, with Mo-TEB and V-TEB showing promising NRR selectivity.

ACS APPLIED MATERIALS & INTERFACES (2022)

添加到收藏夹

Review Chemistry, Physical

Progress of Experimental and Computational Catalyst Design for Electrochemical Nitrogen Fixation

Zhe Chen et al.

Summary: This review summarizes the recent research progress in electrochemical nitrogen reduction reaction (eNRR) in ammonia synthesis, highlighting the current challenges and future opportunities, and pointing out the need for further efforts in mechanistic understanding and catalyst design.

ACS CATALYSIS (2022)

添加到收藏夹

Article Engineering, Chemical

FexC enhancing the catalytic activity of FeNx in oxidative dehydration of N-heterocycles

Siyuan Sun et al.

Summary: This study synthesizes FexC combined with atomically dispersed Fe catalyst and demonstrates high catalytic activity and stability in organic dehydration reactions. Experimental and theoretical calculations confirm that the activity is attributed to the coexistence of FexC and FeNx structures.

GREEN CHEMICAL ENGINEERING (2022)

添加到收藏夹

Article Chemistry, Physical

Artificial frustrated Lewis pairs facilitating the electrochemical N2 and CO2 conversion to urea

Menglei Yuan et al.

Summary: Frustrated Lewis pairs (FLPs) coupled with rice-like InOOH nanoparticles provide a new strategy for urea electrosynthesis by achieving targeted chemisorption of N-2 and CO2 through electronic interaction, generating intermediates for urea synthesis.

CHEM CATALYSIS (2022)

添加到收藏夹

Review Engineering, Chemical

CO2 capture and in-situ conversion: recent progresses and perspectives

Bin Shao et al.

Summary: This article discusses the importance of integrating CO2 capture and conversion technology, focusing on the applications of dual-function materials and iCCC technology in methane and syngas production, and proposes methods for designing reactors and optimizing operation conditions from an industrial application perspective.

GREEN CHEMICAL ENGINEERING (2022)

添加到收藏夹

Article Chemistry, Multidisciplinary

Host-guest molecular interaction promoted urea electrosynthesis over a precisely designed conductive metal-organic framework

Menglei Yuan et al.

Summary: Through the design of a novel conductive metal-organic framework, the highly selective electrocatalytic activation of N-2 and CO2 to synthesize urea has been achieved, demonstrating record-high urea yield rate and high selectivity.

ENERGY & ENVIRONMENTAL SCIENCE (2022)

添加到收藏夹

Article Chemistry, Applied

Fe, V-co-doped C2N for electrocatalytic N-2-to-NH3 conversion

Zengxi Wei et al.

Summary: The design of providential catalyst is crucial for driving electrochemical nitrogen reduction reactions, with the potential to achieve efficient conversion of N2 to NH3. Understanding the relationship between Bader charges and N-N bond length variations can help optimize catalyst design.

JOURNAL OF ENERGY CHEMISTRY (2021)

添加到收藏夹

Article Chemistry, Multidisciplinary

Unveiling Electrochemical Urea Synthesis by Co-Activation of CO2 and N2 with Mott-Schottky Heterostructure Catalysts

Menglei Yuan et al.

Summary: The novel Mott-Schottky Bi-BiVO4 heterostructures exhibit remarkable urea yield rate and Faradaic efficiency by facilitating targeted activation of CO2 and N-2 molecules, effectively suppressing CO poisoning and endothermic intermediates, ensuring the desired exothermic coupling reaction.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2021)

添加到收藏夹

Article Chemistry, Physical

Atomically Dispersed Ni/Cu Dual Sites for Boosting the CO2 Reduction Reaction

Huiyuan Cheng et al.

Summary: This study explores the synthesis of an N-rich carbon matrix with precisely controlled Ni/Cu dual sites through the assistance of metal-organic frameworks, which shows high efficiency and long-term stability in the CO2 reduction reaction.

ACS CATALYSIS (2021)

添加到收藏夹

Article Multidisciplinary Sciences

Electrochemical synthesis of urea on MBenes

Xiaorong Zhu et al.

Summary: The study systematically investigates the catalytic activity of three experimental two-dimensional metal borides (MBenes) for urea synthesis, demonstrating the potential of Mo2B2 and Cr2B2 as effective electrocatalysts for urea production.

NATURE COMMUNICATIONS (2021)

添加到收藏夹

Article Chemistry, Multidisciplinary

Understanding Single-Atom Catalysis in View of Theory

Wenhua Zhang et al.

Summary: The past decade has seen successful dispersion of isolated single atoms on various substrates for potential applications, intensively investigated in different reactions. While the main research focus in single-atom catalysis is synthesizing stable SACs with clear configurations and impressive catalytic performance, theoretical investigations have also played crucial roles in identifying active sites, revealing catalytic mechanisms, and establishing structure-activity relationships. Special attention should be paid in theoretical works to the particularity of SACs. This Perspective summarizes the theoretical progress made on understanding the rich phenomena in single-atom catalysis.

JACS AU (2021)

添加到收藏夹

Article Chemistry, Physical

Building highly active hybrid double-atom sites in C2N for enhanced electrocatalytic hydrogen peroxide synthesis

Yongyong Cao et al.

Summary: The study identified PdCu@C2N as a more efficient electrocatalyst for H2O2 synthesis compared to RuCu@C2N, with higher activity and selectivity. This work provides guidelines for designing highly effective HDACs for H2O2 synthesis using DFT computations.

GREEN ENERGY & ENVIRONMENT (2021)

添加到收藏夹

Article Chemistry, Multidisciplinary

Highly selective electroreduction of N2 and CO2 to urea over artificial frustrated Lewis pairs

Menglei Yuan et al.

Summary: The study achieved efficient conversion of CO2 and N-2 into urea by precisely designing unique frustrated Lewis pairs in flower-like nickel borate crystals. Through the synergistic action of Lewis acidic and basic sites, inert gases were captured and activated, ultimately achieving high urea yield rates.

ENERGY & ENVIRONMENTAL SCIENCE (2021)

添加到收藏夹

Review Chemistry, Physical

Fabrication strategies of porous precious-metal-free bifunctional electrocatalysts for overall water splitting: Recent advances

Jin-Tao Ren et al.

Summary: Utilizing renewable energy to perform electrocatalytic water splitting for hydrogen production is a promising approach to address energy crisis and environmental pollution. The development of low-cost electrocatalysts with high and stable activity for both HER and OER is a key challenge for large-scale water electrolysis. Recent innovations in porous non-noble-metal materials, including heteroatom-doped carbon-based and transition metal-based materials, have shown excellent electrocatalytic performance for overall water splitting. Understanding the structure-activity correlation of these materials provides insights for designing highly efficient electrocatalysts based on non-precious carbon or metal materials in the future.

GREEN ENERGY & ENVIRONMENT (2021)

添加到收藏夹

Article Multidisciplinary Sciences

Controllable CO2 electrocatalytic reduction via ferroelectric switching on single atom anchored In2Se3 monolayer

Lin Ju et al.

Summary: This study presents a distinct design of ferroelectric catalysts for efficient and controllable electrochemical CO2 reduction, which promises to alleviate environmental pollution and energy crisis. By identifying six ferroelectric catalysts, the research demonstrates the effective control of CO2 reduction through polarization dependent activation, opening a new avenue for improving catalytic activity and selectivity.

NATURE COMMUNICATIONS (2021)

添加到收藏夹

Article Chemistry, Physical

Fe-N4 and Co-N4 dual sites for boosting oxygen electroreduction in Zn-air batteries

Dan Wang et al.

Summary: A facile one-step impregnation-pyrolysis route is developed to synthesize highly active dual-metal sites embedded in hierarchical N-doped carbon, which can synergistically enhance the ORR activity and achieve excellent performance in zinc-air batteries.

JOURNAL OF MATERIALS CHEMISTRY A (2021)

添加到收藏夹

Article Chemistry, Multidisciplinary

Electrochemical C-N coupling with perovskite hybrids toward efficient urea synthesis

Menglei Yuan et al.

Summary: The study demonstrates the efficient electrocatalytic C-N coupling reaction by using BiFeO3/BiVO4 heterojunction to synthesize urea under ambient conditions, achieving high efficiency and high Faradaic efficiency. The research shows that the local charge redistribution in the heterojunction effectively suppresses CO poisoning and the formation of the endothermic *NNH intermediate.

CHEMICAL SCIENCE (2021)

添加到收藏夹

Article Chemistry, Multidisciplinary

Electrochemical Conversion of CO2 to Syngas with Controllable CO/H2 Ratios over Co and Ni Single-Atom Catalysts

Qun He et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2020)

添加到收藏夹

Article Chemistry, Physical

Atomically embedded asymmetrical dual-metal dimers on N-doped graphene for ultra-efficient nitrogen reduction reaction

Tianwei He et al.

JOURNAL OF CATALYSIS (2020)

添加到收藏夹

Article Chemistry, Multidisciplinary

Coupling N2 and CO2 in H2O to synthesize urea under ambient conditions

Chen Chen et al.

NATURE CHEMISTRY (2020)

添加到收藏夹

Article Chemistry, Multidisciplinary

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

Yonggang Feng et al.

NANO LETTERS (2020)

添加到收藏夹

Article Chemistry, Physical

Active sites and reaction mechanism for N-doped carbocatalysis of phenol removal

Mingjie Zhang et al.

GREEN ENERGY & ENVIRONMENT (2020)

添加到收藏夹

Editorial Material Chemistry, Physical

Single-atom catalysts: The role of intrinsic intermediate

Yafei Li

GREEN ENERGY & ENVIRONMENT (2020)

添加到收藏夹

Article Chemistry, Multidisciplinary

Seven confluence principles: a case study of standardized statistical analysis for 26 methods that assign net atomic charges in molecules

Thomas A. Manz

RSC ADVANCES (2020)

添加到收藏夹

Review Chemistry, Physical

First-principles-aided thermodynamic modeling of transition-metal heterogeneous catalysts: A review

Haoxiang Xu et al.

GREEN ENERGY & ENVIRONMENT (2020)

添加到收藏夹

Article Engineering, Chemical

The potential of integrated bio- and chemical-engineering-for a more sustainable world

Lene Lange et al.

GREEN CHEMICAL ENGINEERING (2020)

添加到收藏夹

Article Chemistry, Multidisciplinary

Isolated Diatomic Ni-Fe Metal-Nitrogen Sites for Synergistic Electroreduction of CO2

Wenhao Ren et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2019)

添加到收藏夹

Article Chemistry, Physical

Influence of Atomic Surface Structure on the Activity of Ag for the Electrochemical Reduction of CO2 to CO

Ezra L. Clark et al.

ACS CATALYSIS (2019)

添加到收藏夹

Review Chemistry, Multidisciplinary

Electrochemical CO2 Reduction into Chemical Feedstocks: From Mechanistic Electrocatalysis Models to System Design

Md Golam Kibria et al.

ADVANCED MATERIALS (2019)

添加到收藏夹

Article Chemistry, Physical

Dynamic charge and oxidation state of Pt/CeO2 single-atom catalysts

Nathan Daelman et al.

NATURE MATERIALS (2019)

添加到收藏夹

Article Chemistry, Multidisciplinary

Atomically Dispersed Binary Co-Ni Sites in Nitrogen-Doped Hollow Carbon Nanocubes for Reversible Oxygen Reduction and Evolution

Xiaopeng Han et al.

ADVANCED MATERIALS (2019)

添加到收藏夹

Article Chemistry, Multidisciplinary

Side-on-End-on Coordination of Dinitrogen on a Polynuclear Vanadium Nitride Cluster Anion [V5N5]-

Xin Cheng et al.

CHEMISTRY-A EUROPEAN JOURNAL (2019)

添加到收藏夹

Article Chemistry, Physical

Orbital-Weighted Dual Descriptor for the Study of Local Reactivity of Systems with (Quasi-) Degenerate States

Ricardo Pino-Rios et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2019)

添加到收藏夹

Article Chemistry, Multidisciplinary

An Isolated Zinc-Cobalt Atomic Pair for Highly Active and Durable Oxygen Reduction

Ziyang Lu et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2019)

添加到收藏夹

Article Chemistry, Physical

A General Two-Step Strategy-Based High-Throughput Screening of Single Atom Catalysts for Nitrogen Fixation

Chongyi Ling et al.

SMALL METHODS (2019)

添加到收藏夹

Article Chemistry, Multidisciplinary

Radical Anions from Urea-type Carbonyls: Radical Cyclizations and Cyclization Cascades

Huan-Ming Huang et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2018)

添加到收藏夹

Article Chemistry, Physical

Identification of champion transition metals centers in metal and nitrogen-codoped carbon catalysts for CO2 reduction

Fuping Pan et al.

APPLIED CATALYSIS B-ENVIRONMENTAL (2018)

添加到收藏夹

Article Chemistry, Multidisciplinary

Design of Single-Atom Co-N5 Catalytic Site: A Robust Electrocatalyst for CO2 Reduction with Nearly 100% CO Selectivity and Remarkable Stability

Yuan Pan et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2018)

添加到收藏夹

Article Chemistry, Physical

Suppression of Hydrogen Evolution Reaction in Electrochemical N-2 Reduction Using Single-Atom Catalysts: A Computational Guideline

Changhyeok Choi et al.

ACS CATALYSIS (2018)

添加到收藏夹

Article Chemistry, Multidisciplinary

Design of N-Coordinated Dual-Metal Sites: A Stable and Active Pt-Free Catalyst for Acidic Oxygen Reduction Reaction

Jing Wang et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2017)

添加到收藏夹

Article Multidisciplinary Sciences

Understanding activity and selectivity of metal-nitrogen-doped carbon catalysts for electrochemical reduction of CO2

Wen Ju et al.

NATURE COMMUNICATIONS (2017)

添加到收藏夹

Article Chemistry, Physical

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

Didem Balun Kayan et al.

APPLIED CATALYSIS B-ENVIRONMENTAL (2016)

添加到收藏夹

Article Engineering, Chemical

A Novel Elastic Urea-Melamine-Formaldehyde Foam: Structure and Properties

Yalong Liu et al.

INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH (2016)

添加到收藏夹

Article Multidisciplinary Sciences

Partially oxidized atomic cobalt layers for carbon dioxide electroreduction to liquid fuel

Shan Gao et al.

NATURE (2016)

添加到收藏夹

Article Chemistry, Multidisciplinary

Introducing DDEC6 atomic population analysis: part 1. Charge partitioning theory and methodology

Thomas A. Manz et al.

RSC ADVANCES (2016)

添加到收藏夹

Article Chemistry, Physical

Chemistry of Multitudinous Active Sites for Oxygen Reduction Reaction in Transition Metal-Nitrogen-Carbon Electrocatalysts

Kateryna Artyushkova et al.

JOURNAL OF PHYSICAL CHEMISTRY C (2015)

添加到收藏夹

Article Chemistry, Multidisciplinary

Size-Dependent Electrocatalytic Reduction of CO2 over Pd Nanoparticles

Dunfeng Gao et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2015)

添加到收藏夹

Article Chemistry, Multidisciplinary

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

Wenlei Zhu et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2014)

添加到收藏夹

Article Chemistry, Multidisciplinary

Multiwfn: A multifunctional wavefunction analyzer

Tian Lu et al.

JOURNAL OF COMPUTATIONAL CHEMISTRY (2012)

添加到收藏夹

Article Chemistry, Multidisciplinary

From greenhouse gas to feedstock: formation of ammonium carbamate from CO2 and NH3 in organic solvents and its catalytic conversion into urea under mild conditions

Francesco Barzagli et al.

GREEN CHEMISTRY (2011)

添加到收藏夹

Article Chemistry, Multidisciplinary

The electrostatic potential: an overview

Jane S. Murray et al.

WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE (2011)

添加到收藏夹

Article Chemistry, Physical

Meaning and Functional Form of the Electron Localization Function

Lu Tian et al.

ACTA PHYSICO-CHIMICA SINICA (2011)

添加到收藏夹

Article Chemistry, Physical

New dual descriptor for chemical reactivity

C Morell et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2005)

添加到收藏夹

Article Screening and mechanistic study of bimetallic catalysts for the electrosynthesis of urea from carbon dioxide and dinitrogen

相关参考文献

导出引文

分享论文