Single-, double-, and triple-atom catalysts on graphene-like C 2 N enable electrocatalytic nitrogen reduction: insight from first principles

Zhang, Jin; An, Wei

doi:10.1039/d1cy02254g

Single-, double-, and triple-atom catalysts on graphene-like C ₂ N enable electrocatalytic nitrogen reduction: insight from first principles

Journal Article · 01 January 2022 · Catalysis Science and Technology

DOI:https://doi.org/10.1039/d1cy02254g· OSTI ID:1982199

Zhang, Jin ^[1]; ^[1]

College of Chemistry and Chemical Engineering, Shanghai University of Engineering Science, 333 Longteng Road, Songjiang District, Shanghai 201620, China

The *NH_xintermediates on M_n@C₂N are highly stable forn= 3 and unstable forn= 1, rendering M_n@C₂N as the optimal candidate for driving the eNRR owing to its moderate binding with NH_x(x= 0, 1, 2, 3).

Research Organization:: Brookhaven National Laboratory (BNL), Upton, NY (United States). Center for Functional Nanomaterials (CFN)

Sponsoring Organization:: USDOE Office of Science (SC)

DOE Contract Number:: SC0012704;

OSTI ID:: 1982199

Journal Information:: Catalysis Science and Technology, Journal Name: Catalysis Science and Technology Journal Issue: 8 Vol. 12; ISSN CSTAGD; ISSN 2044-4753

Publisher:: Royal Society of Chemistry

Country of Publication:: United States

Language:: English

References (77)

Single‐Atom Catalysts for Electrocatalytic Applications Zhang, Qiaoqiao; Guan, Jingqi Advanced Functional Materials, Vol. 30, Issue 31 https://doi.org/10.1002/adfm.202000768	journal	June 2020
Confined Fe–Cu Clusters as Sub‐Nanometer Reactors for Efficiently Regulating the Electrochemical Nitrogen Reduction Reaction Wang, Xiaowei; Qiu, Siyao; Feng, Jianmin Advanced Materials, Vol. 32, Issue 40 https://doi.org/10.1002/adma.202004382	journal	September 2020
C ₂ N: A Class of Covalent Frameworks with Unique Properties Tian, Zhihong; López‐Salas, Nieves; Liu, Chuntai Advanced Science, Vol. 7, Issue 24 https://doi.org/10.1002/advs.202001767	journal	November 2020
A Review of Electrocatalytic Reduction of Dinitrogen to Ammonia under Ambient Conditions Cui, Xiaoyang; Tang, Cheng; Zhang, Qiang Advanced Energy Materials, Vol. 8, Issue 22 https://doi.org/10.1002/aenm.201800369	journal	May 2018
Single-Atom Electrocatalysts Zhu, Chengzhou; Fu, Shaofang; Shi, Qiurong Angewandte Chemie International Edition, Vol. 56, Issue 45 https://doi.org/10.1002/anie.201703864	journal	October 2017
Atomically Dispersed Molybdenum Catalysts for Efficient Ambient Nitrogen Fixation Han, Lili; Liu, Xijun; Chen, Jinping Angewandte Chemie International Edition, Vol. 58, Issue 8 https://doi.org/10.1002/anie.201811728	journal	January 2019
The Challenge of Electrochemical Ammonia Synthesis: A New Perspective on the Role of Nitrogen Scaling Relations Montoya, Joseph H.; Tsai, Charlie; Vojvodic, Aleksandra ChemSusChem, Vol. 8, Issue 13 https://doi.org/10.1002/cssc.201500322	journal	June 2015
Hybrid Metal–Boron Diatomic Site Embedded in C ₂ N Monolayer Promotes C–C Coupling in CO ₂ Electroreduction He, Miaomiao; An, Wei; Wang, Yuanqiang Small, Vol. 17, Issue 42 https://doi.org/10.1002/smll.202104445	journal	September 2021
Single or Double: Which Is the Altar of Atomic Catalysts for Nitrogen Reduction Reaction? Chen, Zhi Wen; Yan, Jun‐Min; Jiang, Qing Small Methods, Vol. 3, Issue 6 https://doi.org/10.1002/smtd.201800291	journal	October 2018
Advances in Electrocatalytic N ₂ Reduction—Strategies to Tackle the Selectivity Challenge Chen, Gao‐Feng; Ren, Shiyu; Zhang, Lili Small Methods, Vol. 3, Issue 6 https://doi.org/10.1002/smtd.201800337	journal	October 2018
Computational Screening of Efficient Single‐Atom Catalysts Based on Graphitic Carbon Nitride (g‐C ₃ N ₄ ) for Nitrogen Electroreduction Chen, Zhe; Zhao, Jingxiang; Cabrera, Carlos R. Small Methods, Vol. 3, Issue 6 https://doi.org/10.1002/smtd.201800368	journal	October 2018
Recent Progress on Electrocatalyst and Photocatalyst Design for Nitrogen Reduction Li, Mengqiao; Huang, Hao; Low, Jingxiang Small Methods, Vol. 3, Issue 6 https://doi.org/10.1002/smtd.201800388	journal	October 2018
Nitrogen reduction reaction on small iron clusters supported by N-doped graphene: A theoretical study of the atomically precise active-site mechanism Cui, Chaonan; Zhang, Hongchao; Luo, Zhixun Nano Research, Vol. 13, Issue 8 https://doi.org/10.1007/s12274-020-2847-0	journal	June 2020
Single-metal-atom site with high-spin state embedded in defective BN nanosheet promotes electrocatalytic nitrogen reduction Fang, Cong; An, Wei Nano Research, Vol. 14, Issue 11 https://doi.org/10.1007/s12274-021-3373-4	journal	March 2021
Identification of single-atom-anchored g-CN as pH universal photo- and electro- catalysts for hydrogen evolution Zhang, Lihong; Guo, Xiangyu; Zhang, Shengli Applied Materials Today, Vol. 25 https://doi.org/10.1016/j.apmt.2021.101177	journal	December 2021
Triple-atom catalysts 3TM-GYs (TM = Cu, Fe, and Co; GY = graphyne) for high-performance CO2 reduction reaction to C1 products Zhou, Sainan; Cao, Shoufu; Wei, Shuxian Applied Materials Today, Vol. 25 https://doi.org/10.1016/j.apmt.2021.101245	journal	December 2021
Progress in the Electrochemical Synthesis of Ammonia Kyriakou, V.; Garagounis, I.; Vasileiou, E. Catalysis Today, Vol. 286 https://doi.org/10.1016/j.cattod.2016.06.014	journal	May 2017
Electrocatalytic Reduction of Nitrogen: From Haber-Bosch to Ammonia Artificial Leaf Martín, Antonio José; Shinagawa, Tatsuya; Pérez-Ramírez, Javier Chem, Vol. 5, Issue 2 https://doi.org/10.1016/j.chempr.2018.10.010	journal	February 2019
A fast and robust algorithm for Bader decomposition of charge density Henkelman, Graeme; Arnaldsson, Andri; Jónsson, Hannes Computational Materials Science, Vol. 36, Issue 3 https://doi.org/10.1016/j.commatsci.2005.04.010	journal	June 2006
VASPKIT: A user-friendly interface facilitating high-throughput computing and analysis using VASP code Wang, Vei; Xu, Nan; Liu, Jin-Cheng Computer Physics Communications, Vol. 267 https://doi.org/10.1016/j.cpc.2021.108033	journal	October 2021
Heterogeneous single-cluster catalysts (Mn3, Fe3, Co3, and Mo3) supported on nitrogen-doped graphene for robust electrochemical nitrogen reduction Zheng, Guokui; Li, Lei; Tian, Ziqi Journal of Energy Chemistry, Vol. 54 https://doi.org/10.1016/j.jechem.2020.06.048	journal	March 2021
Dual-atom active sites embedded in two-dimensional C2N for efficient CO2 electroreduction: A computational study Liu, Haimei; Huang, Qingliang; An, Wei Journal of Energy Chemistry, Vol. 61 https://doi.org/10.1016/j.jechem.2021.02.007	journal	October 2021
Bimetallic Pd-Based surface alloys promote electrochemical oxidation of formic acid: Mechanism, kinetics and descriptor Sui, Lijun; An, Wei; Feng, Yonghao Journal of Power Sources, Vol. 451 https://doi.org/10.1016/j.jpowsour.2020.227830	journal	March 2020
Electrochemical synthesis of ammonia: Progress and challenges Wu, Tingting; Fan, Wenjun; Zhang, Yang Materials Today Physics, Vol. 16 https://doi.org/10.1016/j.mtphys.2020.100310	journal	January 2021
Fe@C2N: A highly-efficient indirect-contact oxygen reduction catalyst Mahmood, Javeed; Li, Feng; Kim, Changmin Nano Energy, Vol. 44 https://doi.org/10.1016/j.nanoen.2017.11.057	journal	February 2018
Nitrogen-coordinated single Fe sites for efficient electrocatalytic N2 fixation in neutral media Lü, Fang; Zhao, Shunzheng; Guo, Ruijie Nano Energy, Vol. 61 https://doi.org/10.1016/j.nanoen.2019.04.092	journal	July 2019
High-throughput identification of high activity and selectivity transition metal single-atom catalysts for nitrogen reduction Xue, Zhe; Zhang, Xinyu; Qin, Jiaqian Nano Energy, Vol. 80 https://doi.org/10.1016/j.nanoen.2020.105527	journal	February 2021
Atomically dispersed Au1 catalyst towards efficient electrochemical synthesis of ammonia Wang, Xiaoqian; Wang, Wenyu; Qiao, Man Science Bulletin, Vol. 63, Issue 19 https://doi.org/10.1016/j.scib.2018.07.005	journal	October 2018
Single-Atom Alloy Catalysis Hannagan, Ryan T.; Giannakakis, Georgios; Flytzani-Stephanopoulos, Maria Chemical Reviews https://doi.org/10.1021/acs.chemrev.0c00078	journal	June 2020
Recent Advances and Challenges of Electrocatalytic N ₂ Reduction to Ammonia Qing, Geletu; Ghazfar, Reza; Jackowski, Shane T. Chemical Reviews, Vol. 120, Issue 12 https://doi.org/10.1021/acs.chemrev.9b00659	journal	May 2020
Single Molybdenum Atom Anchored on N-Doped Carbon as a Promising Electrocatalyst for Nitrogen Reduction into Ammonia at Ambient Conditions Ling, Chongyi; Bai, Xiaowan; Ouyang, Yixin The Journal of Physical Chemistry C, Vol. 122, Issue 29 https://doi.org/10.1021/acs.jpcc.8b05257	journal	July 2018
Effect of Doped Metals on Hydrodeoxygenation of Phenol over Pt-Based Bimetallic Alloys: C _aryl –OH Versus C _aliphatic H–OH Bond Scission Jia, Xin; An, Wei; Wang, Zeming The Journal of Physical Chemistry C, Vol. 123, Issue 27 https://doi.org/10.1021/acs.jpcc.9b04457	journal	June 2019
Computational Evaluation of Electrocatalytic Nitrogen Reduction on TM Single-, Double-, and Triple-Atom Catalysts (TM = Mn, Fe, Co, Ni) Based on Graphdiyne Monolayers Ma, Dongwei; Zeng, Zaiping; Liu, Liangliang The Journal of Physical Chemistry C, Vol. 123, Issue 31 https://doi.org/10.1021/acs.jpcc.9b05250	journal	July 2019
Atom-Pair Catalysts Supported by N-Doped Graphene for the Nitrogen Reduction Reaction: d-Band Center-Based Descriptor Deng, Ting; Cen, Chao; Shen, Hujun The Journal of Physical Chemistry Letters, Vol. 11, Issue 15 https://doi.org/10.1021/acs.jpclett.0c01450	journal	July 2020
Screening a Suitable Mo Form Supported on Graphdiyne for Effectively Electrocatalytic N ₂ Reduction Reaction: From Atomic Catalyst to Cluster Catalyst Li, Mengyuan; Cui, Yu; Zhang, Xiaoli The Journal of Physical Chemistry Letters, Vol. 11, Issue 19 https://doi.org/10.1021/acs.jpclett.0c02354	journal	September 2020
High-Throughput Screening of Synergistic Transition Metal Dual-Atom Catalysts for Efficient Nitrogen Fixation Lv, Xingshuai; Wei, Wei; Huang, Baibiao Nano Letters, Vol. 21, Issue 4 https://doi.org/10.1021/acs.nanolett.0c05080	journal	February 2021
Prediction of Highly Selective Electrocatalytic Nitrogen Reduction at Low Overpotential on a Mo-Doped g-GaN Monolayer Li, Lesheng; Martirez, J. Mark P.; Carter, Emily A. ACS Catalysis, Vol. 10, Issue 21 https://doi.org/10.1021/acscatal.0c03140	journal	October 2020
Rationalization of Au Concentration and Distribution in AuNi@Pt Core–Shell Nanoparticles for Oxygen Reduction Reaction An, Wei; Liu, Ping ACS Catalysis, Vol. 5, Issue 11 https://doi.org/10.1021/acscatal.5b01656	journal	September 2015
Electrochemical Ammonia Synthesis—The Selectivity Challenge Singh, Aayush R.; Rohr, Brian A.; Schwalbe, Jay A. ACS Catalysis, Vol. 7, Issue 1 https://doi.org/10.1021/acscatal.6b03035	journal	December 2016
Suppression of Hydrogen Evolution Reaction in Electrochemical N ₂ Reduction Using Single-Atom Catalysts: A Computational Guideline Choi, Changhyeok; Back, Seoin; Kim, Na-Young ACS Catalysis, Vol. 8, Issue 8 https://doi.org/10.1021/acscatal.8b00905	journal	July 2018
Highly Efficient Photo-/Electrocatalytic Reduction of Nitrogen into Ammonia by Dual-Metal Sites Wang, Shiyan; Shi, Li; Bai, Xiaowan ACS Central Science, Vol. 6, Issue 10 https://doi.org/10.1021/acscentsci.0c00552	journal	September 2020
Achieving High Activity and Selectivity of Nitrogen Reduction via Fe–N₃ Coordination on Iron Single-Atom Electrocatalysts at Ambient Conditions Yang, Haidong; Liu, Yang; Luo, Yutong ACS Sustainable Chemistry & Engineering, Vol. 8, Issue 34 https://doi.org/10.1021/acssuschemeng.0c02701	journal	August 2020
Computational Screening Single-Atom Catalysts Supported on g-CN for N₂ Reduction: High Activity and Selectivity Niu, Huan; Wang, Xiting; Shao, Chen ACS Sustainable Chemistry & Engineering, Vol. 8, Issue 36 https://doi.org/10.1021/acssuschemeng.0c04401	journal	August 2020
Synergy of a Metallic NiCo Dimer Anchored on a C ₂ N–Graphene Matrix Promotes the Electrochemical CO ₂ Reduction Reaction Huang, Qingliang; Liu, Haimei; An, Wei ACS Sustainable Chemistry & Engineering, Vol. 7, Issue 23 https://doi.org/10.1021/acssuschemeng.9b05042	journal	November 2019
Electrochemical CO ₂ Reduction Reaction on M@Cu(211) Bimetallic Single-Atom Surface Alloys: Mechanism, Kinetics, and Catalyst Screening Feng, Yonghao; An, Wei; Wang, Zeming ACS Sustainable Chemistry & Engineering, Vol. 8, Issue 1 https://doi.org/10.1021/acssuschemeng.9b05183	journal	November 2019
Comprehensive Mechanism and Structure-Sensitivity of Ethanol Oxidation on Platinum: New Transition-State Searching Method for Resolving the Complex Reaction Network Wang, Hui-Fang; Liu, Zhi-Pan Journal of the American Chemical Society, Vol. 130, Issue 33 https://doi.org/10.1021/ja801648h	journal	August 2008
Molecule-Level g-C ₃ N ₄ Coordinated Transition Metals as a New Class of Electrocatalysts for Oxygen Electrode Reactions Zheng, Yao; Jiao, Yan; Zhu, Yihan Journal of the American Chemical Society, Vol. 139, Issue 9 https://doi.org/10.1021/jacs.6b13100	journal	February 2017
Confined Pyrolysis within Metal–Organic Frameworks To Form Uniform Ru ₃ Clusters for Efficient Oxidation of Alcohols Ji, Shufang; Chen, Yuanjun; Fu, Qiang Journal of the American Chemical Society, Vol. 139, Issue 29 https://doi.org/10.1021/jacs.7b05018	journal	July 2017
Single Mo Atom Supported on Defective Boron Nitride Monolayer as an Efficient Electrocatalyst for Nitrogen Fixation: A Computational Study Zhao, Jingxiang; Chen, Zhongfang Journal of the American Chemical Society, Vol. 139, Issue 36 https://doi.org/10.1021/jacs.7b05213	journal	August 2017
Building Up a Picture of the Electrocatalytic Nitrogen Reduction Activity of Transition Metal Single-Atom Catalysts Liu, Xin; Jiao, Yan; Zheng, Yao Journal of the American Chemical Society, Vol. 141, Issue 24 https://doi.org/10.1021/jacs.9b03811	journal	April 2019
Origin of the Overpotential for Oxygen Reduction at a Fuel-Cell Cathode Nørskov, J. K.; Rossmeisl, J.; Logadottir, A. The Journal of Physical Chemistry B, Vol. 108, Issue 46 https://doi.org/10.1021/jp047349j	journal	November 2004
Nitrogenated holey two-dimensional structures Mahmood, Javeed; Lee, Eun Kwang; Jung, Minbok Nature Communications, Vol. 6, Issue 1 https://doi.org/10.1038/ncomms7486	journal	March 2015
An efficient and pH-universal ruthenium-based catalyst for the hydrogen evolution reaction Mahmood, Javeed; Li, Feng; Jung, Sun-Min Nature Nanotechnology, Vol. 12, Issue 5 https://doi.org/10.1038/nnano.2016.304	journal	February 2017
Heterogeneous Fe3 single-cluster catalyst for ammonia synthesis via an associative mechanism Liu, Jin-Cheng; Ma, Xue-Lu; Li, Yong Nature Communications, Vol. 9, Issue 1 https://doi.org/10.1038/s41467-018-03795-8	journal	April 2018
Carbon nitride supported Fe2 cluster catalysts with superior performance for alkene epoxidation Tian, Shubo; Fu, Qiang; Chen, Wenxing Nature Communications, Vol. 9, Issue 1 https://doi.org/10.1038/s41467-018-04845-x	journal	June 2018
Understanding potential-dependent competition between electrocatalytic dinitrogen and proton reduction reactions Choi, Changhyeok; Gu, Geun Ho; Noh, Juhwan Nature Communications, Vol. 12, Issue 1 https://doi.org/10.1038/s41467-021-24539-1	journal	July 2021
Catalysts for nitrogen reduction to ammonia Foster, Shelby L.; Bakovic, Sergio I. Perez; Duda, Royce D. Nature Catalysis, Vol. 1, Issue 7 https://doi.org/10.1038/s41929-018-0092-7	journal	July 2018
Challenges and prospects in the catalysis of electroreduction of nitrogen to ammonia Suryanto, Bryan H. R.; Du, Hoang-Long; Wang, Dabin Nature Catalysis, Vol. 2, Issue 4 https://doi.org/10.1038/s41929-019-0252-4	journal	March 2019
A theoretical evaluation of possible transition metal electro-catalysts for N ₂ reduction Skúlason, Egill; Bligaard, Thomas; Gudmundsdóttir, Sigrídur Phys. Chem. Chem. Phys., Vol. 14, Issue 3 https://doi.org/10.1039/C1CP22271F	journal	January 2012
Promoting the oxygen reduction reaction with gold at step/edge sites of Ni@AuPt core–shell nanoparticles Wang, Hao; An, Wei Catalysis Science & Technology, Vol. 7, Issue 3 https://doi.org/10.1039/C6CY02344D	journal	January 2017
Rational design of electrocatalysts and photo(electro)catalysts for nitrogen reduction to ammonia (NH ₃ ) under ambient conditions Guo, Chunxian; Ran, Jingrun; Vasileff, Anthony Energy & Environmental Science, Vol. 11, Issue 1 https://doi.org/10.1039/C7EE02220D	journal	January 2018
C ₂ N-graphene supported single-atom catalysts for CO ₂ electrochemical reduction reaction: mechanistic insight and catalyst screening Cui, Xudong; An, Wei; Liu, Xiaoyang Nanoscale, Vol. 10, Issue 32 https://doi.org/10.1039/C8NR04961K	journal	January 2018
Recent progress in single-atom electrocatalysts: concept, synthesis, and applications in clean energy conversion Su, Jianwei; Ge, Ruixiang; Dong, Yan Journal of Materials Chemistry A, Vol. 6, Issue 29 https://doi.org/10.1039/C8TA04064H	journal	January 2018
Double-atom catalysts: transition metal dimer-anchored C ₂ N monolayers as N ₂ fixation electrocatalysts Zhang, Xu; Chen, An; Zhang, Zihe Journal of Materials Chemistry A, Vol. 6, Issue 38 https://doi.org/10.1039/C8TA07683A	journal	January 2018
Hydrodeoxygenation of phenol over Ni-based bimetallic single-atom surface alloys: mechanism, kinetics and descriptor Zhou, Jingwen; An, Wei; Wang, Zeming Catalysis Science & Technology, Vol. 9, Issue 16 https://doi.org/10.1039/C9CY01082C	journal	January 2019
Nitrogen electroreduction performance of transition metal dimers embedded into N-doped graphene: a theoretical prediction Li, Hongyan; Zhao, Zhifeng; Cai, Qinghai Journal of Materials Chemistry A, Vol. 8, Issue 8 https://doi.org/10.1039/C9TA13599E	journal	January 2020
Design of a graphene nitrene two-dimensional catalyst providing a well-defined site accommodating up to three metals, with application to N₂ reduction electrocatalysis Li, Li; Xu, Lai Chemical Communications, Vol. 56, Issue 63 https://doi.org/10.1039/D0CC03723K	journal	January 2020
Unravelling the role of oxophilic metal in promoting the deoxygenation of catechol on Ni-based alloy catalysts Zhou, Jingwen; An, Wei Catalysis Science & Technology, Vol. 10, Issue 20 https://doi.org/10.1039/D0CY01361G	journal	January 2020
Recent advances in catalysts, electrolytes and electrode engineering for the nitrogen reduction reaction under ambient conditions Hou, Junbo; Yang, Min; Zhang, Junliang Nanoscale, Vol. 12, Issue 13 https://doi.org/10.1039/D0NR00412J	journal	January 2020
Stepped M@Pt(211) (M = Co, Fe, Mo) single-atom alloys promote the deoxygenation of lignin-derived phenolics: mechanism, kinetics, and descriptors Liu, Ranran; An, Wei Catalysis Science & Technology, Vol. 11, Issue 21 https://doi.org/10.1039/D1CY01258D	journal	January 2021
Hybrid functionals based on a screened Coulomb potential Heyd, Jochen; Scuseria, Gustavo E.; Ernzerhof, Matthias The Journal of Chemical Physics, Vol. 118, Issue 18 https://doi.org/10.1063/1.1564060	journal	May 2003
Special points for Brillouin-zone integrations Monkhorst, Hendrik J.; Pack, James D. Physical Review B, Vol. 13, Issue 12, p. 5188-5192 https://doi.org/10.1103/PhysRevB.13.5188	journal	June 1976
Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation Perdew, John P.; Chevary, J. A.; Vosko, S. H. Physical Review B, Vol. 46, Issue 11 https://doi.org/10.1103/PhysRevB.46.6671	journal	September 1992
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set Kresse, G.; Furthmüller, J. Physical Review B, Vol. 54, Issue 16, p. 11169-11186 https://doi.org/10.1103/PhysRevB.54.11169	journal	October 1996
From ultrasoft pseudopotentials to the projector augmented-wave method Kresse, G.; Joubert, D. Physical Review B, Vol. 59, Issue 3, p. 1758-1775 https://doi.org/10.1103/PhysRevB.59.1758	journal	January 1999
Nitrogen fixation and reduction at boron Légaré, Marc-André; Bélanger-Chabot, Guillaume; Dewhurst, Rian D. Science, Vol. 359, Issue 6378 https://doi.org/10.1126/science.aaq1684	journal	February 2018
Beyond fossil fuel–driven nitrogen transformations Chen, Jingguang G.; Crooks, Richard M.; Seefeldt, Lance C. Science, Vol. 360, Issue 6391 https://doi.org/10.1126/science.aar6611	journal	May 2018

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