ACS Publications. Most Trusted. Most Cited. Most Read
Interface Engineering of Earth-Abundant Transition Metals Using Boron Nitride for Selective Electroreduction of CO2
My Activity

Figure 1Loading Img
    Research Article

    Interface Engineering of Earth-Abundant Transition Metals Using Boron Nitride for Selective Electroreduction of CO2
    Click to copy article linkArticle link copied!

    View Author Information
    Department of Chemistry, University of California, Riverside, California 92521, United States
    Chemical Sciences Division and Center for Nanophase Materials Sciences, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, United States
    § Department of Chemistry, The University of Tennessee, Knoxville, Tennessee 37996, United States
    Other Access OptionsSupporting Information (1)

    ACS Applied Materials & Interfaces

    Cite this: ACS Appl. Mater. Interfaces 2018, 10, 7, 6694–6700
    Click to copy citationCitation copied!
    https://doi.org/10.1021/acsami.7b17600
    Published February 1, 2018
    Copyright © 2018 American Chemical Society

    Abstract

    Click to copy section linkSection link copied!
    Abstract Image

    Two-dimensional atomically thin hexagonal boron nitride (h-BN) monolayers have attracted considerable research interest. Given the tremendous progress in the synthesis of h-BN monolayers on transition metals and their potential as electrocatalysts, we investigate the electrocatalytic activities of h-BN/Ni, h-BN/Co, and h-BN/Cu interfaces for CO2 reduction by the first-principles density functional theory. We find that with the h-BN monolayer on the metal, electrons transfer from the metal to the interface and accumulate under the B atoms. By calculating the binding energies of three key intermediates (H, HCOO, and COOH) for hydrogen evolution and CO2 reduction, we find that H binding on the metal can be significantly weakened by the h-BN monolayer, preventing the hydrogen evolution reaction (HER). However, the binding strength of HCOO is strong on both the metal and h-BN/metal, especially for Ni and Co, promoting the CO2 reduction channel. On the basis of the free-energy diagrams, we predict that h-BN/Ni and h-BN/Co will have very good electrocatalytic activities for CO2 reduction to HCOOH, while the competitive HER channel is filtered out by the surface h-BN monolayer. Our study opens a new way for selective electroreduction of CO2 via the interface engineering of the h-BN/metal system.

    Copyright © 2018 American Chemical Society

    Read this article

    To access this article, please review the available access options below.

    Get instant access

    Purchase Access

    Read this article for 48 hours. Check out below using your ACS ID or as a guest.

    Recommended

    Access through Your Institution

    You may have access to this article through your institution.

    Your institution does not have access to this content. Add or change your institution or let them know you’d like them to include access.

    Supporting Information

    Click to copy section linkSection link copied!

    The Supporting Information is available free of charge on the ACS Publications website at DOI: 10.1021/acsami.7b17600.

    • Zero-point energy and entropy terms and the solvation effect on the HCOO and COOH intermediates (PDF)

    Terms & Conditions

    Most electronic Supporting Information files are available without a subscription to ACS Web Editions. Such files may be downloaded by article for research use (if there is a public use license linked to the relevant article, that license may permit other uses). Permission may be obtained from ACS for other uses through requests via the RightsLink permission system: http://pubs.acs.org/page/copyright/permissions.html.

    Cited By

    Click to copy section linkSection link copied!

    This article is cited by 52 publications.

    1. Madhu Samolia, Vidya Avasare. Assessment of the Catalytic Performance of a Heterogeneous Fe2C Catalyst in the Formation of Multicarbon Products from Carbon Dioxide. ACS Applied Energy Materials 2023, 6 (21) , 10748-10760. https://doi.org/10.1021/acsaem.3c01283
    2. Zhipeng Ma, Tao Wan, Ding Zhang, Jodie A. Yuwono, Constantine Tsounis, Junjie Jiang, Yu-Hsiang Chou, Xunyu Lu, Priyank V. Kumar, Yun Hau Ng, Dewei Chu, Cui Ying Toe, Zhaojun Han, Rose Amal. Atomically Dispersed Cu Catalysts on Sulfide-Derived Defective Ag Nanowires for Electrochemical CO2 Reduction. ACS Nano 2023, 17 (3) , 2387-2398. https://doi.org/10.1021/acsnano.2c09473
    3. Yanpeng Song, Yi Wang, Jiaqi Shao, Ke Ye, Qi Wang, Guoxiong Wang. Boosting CO2 Electroreduction via Construction of a Stable ZnS/ZnO Interface. ACS Applied Materials & Interfaces 2022, 14 (18) , 20368-20374. https://doi.org/10.1021/acsami.1c15669
    4. Minglong Chen, Zhiwen Zhuo, Haifeng Lv, Xiaojun Wu. Enhanced Activation of CO2 on h-BN Nanosheets via Forming a Donor–Acceptor Heterostructure with 2D M2X Electrenes. The Journal of Physical Chemistry C 2021, 125 (34) , 18762-18769. https://doi.org/10.1021/acs.jpcc.1c05967
    5. Jian-Sen Wang, Guo-Chen Zhao, Yong-Qing Qiu, Chun-Guang Liu. Strong Boron–Carbon Bonding Interaction Drives CO2 Reduction to Ethanol over the Boron-Doped Cu(111) Surface: An Insight from the First-Principles Calculations. The Journal of Physical Chemistry C 2021, 125 (1) , 572-582. https://doi.org/10.1021/acs.jpcc.0c09661
    6. Daniele Perilli, Cristiana Di Valentin, Felix Studt. Can Single Metal Atoms Trapped in Defective h-BN/Cu(111) Improve Electrocatalysis of the H2 Evolution Reaction?. The Journal of Physical Chemistry C 2020, 124 (43) , 23690-23698. https://doi.org/10.1021/acs.jpcc.0c06750
    7. Hao Chen, Shi-Ze Yang, Zhenzhen Yang, Wenwen Lin, Haidi Xu, Qiang Wan, Xian Suo, Tao Wang, De-en Jiang, Jie Fu, Sheng Dai. Sinter-Resistant Nanoparticle Catalysts Achieved by 2D Boron Nitride-Based Strong Metal–Support Interactions: A New Twist on an Old Story. ACS Central Science 2020, 6 (9) , 1617-1627. https://doi.org/10.1021/acscentsci.0c00822
    8. Yuehan Cao, Ruiyang Zhang, Tianli Zhou, Shengming Jin, Jindi Huang, Liqun Ye, Zeai Huang, Fang Wang, Ying Zhou. B–O Bonds in Ultrathin Boron Nitride Nanosheets to Promote Photocatalytic Carbon Dioxide Conversion. ACS Applied Materials & Interfaces 2020, 12 (8) , 9935-9943. https://doi.org/10.1021/acsami.9b21157
    9. Vignesh Kumaravel, John Bartlett, Suresh C. Pillai. Photoelectrochemical Conversion of Carbon Dioxide (CO2) into Fuels and Value-Added Products. ACS Energy Letters 2020, 5 (2) , 486-519. https://doi.org/10.1021/acsenergylett.9b02585
    10. Xin Liu, Zhongxu Wang, Yu Tian, Jingxiang Zhao. Graphdiyne-Supported Single Iron Atom: A Promising Electrocatalyst for Carbon Dioxide Electroreduction into Methane and Ethanol. The Journal of Physical Chemistry C 2020, 124 (6) , 3722-3730. https://doi.org/10.1021/acs.jpcc.9b11649
    11. Hao Yuan, Zhenyu Li, Jinlong Yang. Transition-Metal Diboride: A New Family of Two-Dimensional Materials Designed for Selective CO2 Electroreduction. The Journal of Physical Chemistry C 2019, 123 (26) , 16294-16299. https://doi.org/10.1021/acs.jpcc.9b04221
    12. Daniele Perilli, Daniele Selli, Hongsheng Liu, Enrico Bianchetti, Cristiana Di Valentin. h-BN Defective Layers as Giant N-Donor Macrocycles for Cu Adatom Trapping from the Underlying Metal Substrate. The Journal of Physical Chemistry C 2018, 122 (41) , 23610-23622. https://doi.org/10.1021/acs.jpcc.8b08700
    13. Qigang Chen, Huohai Yang, Peng Wang, Qiang Ke, Xingbo Ge, Xin Chen. Charge transfer regulates electrocatalytic CO2 reduction on one-dimensional carbon nanotube/boron nitride nanotube heterostructures. Separation and Purification Technology 2025, 354 , 128981. https://doi.org/10.1016/j.seppur.2024.128981
    14. Fu Yin, Hui Wang, Zhengqin Zhao, LiJia Luo, Yongliang Tang, Yanbo Zhang, Qiang Xue. Doping and strain modulation of the electronic, optical and photocatalytic properties of the GaN/C 2 N heterostructure. Physical Chemistry Chemical Physics 2024, 26 (24) , 17223-17231. https://doi.org/10.1039/D4CP01836B
    15. Dandan Sun, Zhipeng Sun, Dehong Yang, Xiangfen Jiang, Jie Tang, Xuebin Wang. Advances in boron nitride‐based materials for electrochemical energy storage and conversion. EcoEnergy 2023, 1 (2) , 375-404. https://doi.org/10.1002/ece2.22
    16. Huanhuan Zhang, Yanyan Liu, Kang Sun, Shuqi Li, Jingjing Zhou, Shuling Liu, Huijuan Wei, Baozhong Liu, Lixia Xie, Baojun Li, Jianchun Jiang. Applications and theory investigation of two-dimensional boron nitride nanomaterials in energy catalysis and storage. EnergyChem 2023, 5 (6) , 100108. https://doi.org/10.1016/j.enchem.2023.100108
    17. Qigang Chen, Qiang Ke, Xiuyun Zhao, Xin Chen. Ruthenium-doped boron nitride nanotubes as promising electrocatalysts for carbon dioxide reduction to methane. Diamond and Related Materials 2023, 136 , 109942. https://doi.org/10.1016/j.diamond.2023.109942
    18. Chengming Wang, Shuyan Guan, Huanhuan Zhang, Ruofan Shen, Huiyu Yuan, Baojun Li. Perspectives on two-dimensional ultra-thin materials in energy catalysis and storage. APL Materials 2023, 11 (5) https://doi.org/10.1063/5.0148143
    19. Likai Tong, Bo Zhang, Yu Zhang, Zhijian Peng, Xiuli Fu. Edge engineering on layered WS 2 toward the electrocatalytic reduction of CO 2 : a first principles study. Physical Chemistry Chemical Physics 2022, 24 (48) , 30027-30034. https://doi.org/10.1039/D2CP03499A
    20. J. F. de Brito, P. G. Corradini, A. B. Silva, L. H. Mascaro. Photoelectrochemical CO2 Conversion Through the Utilization of Non-oxide Two-dimensional Nanomaterials. 2022, 230-243. https://doi.org/10.1039/9781839165542-00230
    21. Yixiang Zhou, Yebo Yao, Rui Zhao, Xiaoxuan Wang, Zhenzhen Fu, Dewei Wang, Huaizhi Wang, Liang Zhao, Wei Ni, Zhiyu Yang, Yi‐Ming Yan. Stabilization of Cu + via Strong Electronic Interaction for Selective and Stable CO 2 Electroreduction. Angewandte Chemie 2022, 134 (31) https://doi.org/10.1002/ange.202205832
    22. Yixiang Zhou, Yebo Yao, Rui Zhao, Xiaoxuan Wang, Zhenzhen Fu, Dewei Wang, Huaizhi Wang, Liang Zhao, Wei Ni, Zhiyu Yang, Yi‐Ming Yan. Stabilization of Cu + via Strong Electronic Interaction for Selective and Stable CO 2 Electroreduction. Angewandte Chemie International Edition 2022, 61 (31) https://doi.org/10.1002/anie.202205832
    23. Dmitry V. Shtansky, Andrei T. Matveev, Elizaveta S. Permyakova, Denis V. Leybo, Anton S. Konopatsky, Pavel B. Sorokin. Recent Progress in Fabrication and Application of BN Nanostructures and BN-Based Nanohybrids. Nanomaterials 2022, 12 (16) , 2810. https://doi.org/10.3390/nano12162810
    24. Tanabat Mudchimo, Kaito Takahashi, Poobodin Mano, Vannajan Sanghiran Lee, Thanyada Rungrotmongkol, Supawadee Namuangruk. Understanding the effect of transition metals and vacancy boron nitride catalysts on activity and selectivity for CO2 reduction reaction to valuable products: A DFT-D3 study. Fuel 2022, 319 , 123808. https://doi.org/10.1016/j.fuel.2022.123808
    25. Mengna Li, Gordon Huang, Xiujuan Chen, Jianan Yin, Peng Zhang, Yao Yao, Jian Shen, Yuwei Wu, Jing Huang. Perspectives on environmental applications of hexagonal boron nitride nanomaterials. Nano Today 2022, 44 , 101486. https://doi.org/10.1016/j.nantod.2022.101486
    26. Xin Liu, Xin Zhang, Changgong Meng. Coadsorption Interfered CO Oxidation over Atomically Dispersed Au on h-BN. Molecules 2022, 27 (11) , 3627. https://doi.org/10.3390/molecules27113627
    27. Yuefeng Zhang, Zhiyuan Zeng, Hao Li. Design of 3d transition metal anchored B 5 N 3 catalysts for electrochemical CO 2 reduction to methane. Journal of Materials Chemistry A 2022, 10 (17) , 9737-9745. https://doi.org/10.1039/D2TA00941B
    28. S. Zhang, L. Chen, X.S. Luan, H. Li. The selectivity consideration on Cu cluster between HER and CO2 reduction. Chemical Physics 2022, 557 , 111487. https://doi.org/10.1016/j.chemphys.2022.111487
    29. Pengbo Hu, Shujuan Wang, Yuqun Zhuo. CO2 adsorption enhancement over Al/C-doped h-BN: A DFT study. Chemosphere 2022, 292 , 133396. https://doi.org/10.1016/j.chemosphere.2021.133396
    30. Xiaotong Li, Xiuju Wu, Xiangzhou Lv, Jianghao Wang, Hao Bin Wu. Recent advances in metal-based electrocatalysts with hetero-interfaces for CO2 reduction reaction. Chem Catalysis 2022, 2 (2) , 262-291. https://doi.org/10.1016/j.checat.2021.10.015
    31. Tanzeela Fazal, Fayaz Ali, Narayan S. Hosmane, Yinghuai Zhu. Boron compounds for catalytic applications. 2022, 169-199. https://doi.org/10.1016/bs.acat.2022.04.005
    32. Madiha Rafiq, Xiaozhen Hu, Zhiliang Ye, Abdul Qayum, Hong Xia, Liangsheng Hu, Fushen Lu, Paul K. Chu. Recent advances in structural engineering of 2D hexagonal boron nitride electrocatalysts. Nano Energy 2022, 91 , 106661. https://doi.org/10.1016/j.nanoen.2021.106661
    33. Nabi Ullah, Rizwan Ullah, Saraf Khan, Yuanguo Xu. Boron nitride-based electrocatalysts for HER, OER, and ORR: A mini-review. Frontiers of Materials Science 2021, 15 (4) , 543-552. https://doi.org/10.1007/s11706-021-0577-1
    34. Junjun Li, Sulaiman Umar Abbas, Haiqing Wang, Zhicheng Zhang, Wenping Hu. Recent Advances in Interface Engineering for Electrocatalytic CO2 Reduction Reaction. Nano-Micro Letters 2021, 13 (1) https://doi.org/10.1007/s40820-021-00738-9
    35. Juliana Ferreira de Brito, Patricia Gon Corradini, Anelisse Brunca Silva, Lucia Helena Mascaro. Reduction of CO 2 by Photoelectrochemical Process Using Non‐Oxide Two‐Dimensional Nanomaterials – A Review. ChemElectroChem 2021, 8 (22) , 4305-4320. https://doi.org/10.1002/celc.202101030
    36. Jun Pu, Kai Zhang, Zhenghua Wang, Chaowei Li, Kaiping Zhu, Yagang Yao, Guo Hong. Synthesis and Modification of Boron Nitride Nanomaterials for Electrochemical Energy Storage: From Theory to Application. Advanced Functional Materials 2021, 31 (48) https://doi.org/10.1002/adfm.202106315
    37. Jingjing Ye, Dewei Rao, Xiaohong Yan. CO 2 electrochemical reduction boosted by the regulated electronic properties of metalloporphyrins through tuning an atomic environment. New Journal of Chemistry 2021, 45 (24) , 10664-10671. https://doi.org/10.1039/D1NJ01565F
    38. Jia-Xin Kang, Karim Harrath, Xuenian Chen. Theoretical study on hydrogen storage of pristine bilayer hexagonal boron nitride. Theoretical Chemistry Accounts 2021, 140 (6) https://doi.org/10.1007/s00214-021-02784-3
    39. Jian Shen, Rui Tang, Jun Huang, Yi Wu, Cheng Chen, Qiongzhi Zhou, Yan Huang, Radha Kishan Motkuri, Xin Jin, Hongbin Cao. Strain engineered gas-consumption electroreduction reactions: Fundamentals and perspectives. Coordination Chemistry Reviews 2021, 429 , 213649. https://doi.org/10.1016/j.ccr.2020.213649
    40. Cong Wang, Changyan Zhu, Min Zhang, Yun Geng, Zhongmin Su. Copper Dimer Anchored in g‐CN Monolayer as an Efficient Electrocatalyst for CO 2 Reduction Reaction: A Computational Study. Advanced Theory and Simulations 2020, 3 (12) https://doi.org/10.1002/adts.202000218
    41. Zhen Feng, Guang Su, Hai Ding, Yaqiang Ma, Yi Li, Yanan Tang, Xianqi Dai. Atomic alkali metal anchoring on graphdiyne as single-atom catalysts for capture and conversion of CO2 to HCOOH. Molecular Catalysis 2020, 494 , 111142. https://doi.org/10.1016/j.mcat.2020.111142
    42. Andrey M. Kovalskii, Andrei T. Matveev, Zakhar I. Popov, Ilia N. Volkov, Ekaterina V. Sukhanova, Aleksandra A. Lytkina, Andrey B. Yaroslavtsev, Anton S. Konopatsky, Denis V. Leybo, Andrey V. Bondarev, Igor V. Shchetinin, Konstantin L. Firestein, Dmitry V. Shtansky, Dmitri V. Golberg. (Ni,Cu)/hexagonal BN nanohybrids – New efficient catalysts for methanol steam reforming and carbon monoxide oxidation. Chemical Engineering Journal 2020, 395 , 125109. https://doi.org/10.1016/j.cej.2020.125109
    43. Rui Han, Feng Liu, Xuefei Wang, Minghong Huang, Wenxian Li, Yusuke Yamauchi, Xudong Sun, Zhenguo Huang. Functionalised hexagonal boron nitride for energy conversion and storage. Journal of Materials Chemistry A 2020, 8 (29) , 14384-14399. https://doi.org/10.1039/D0TA05008C
    44. Zhongxu Wang, Jingxiang Zhao. Tuning the electronic structures of monolayer triphosphides MP 3 (M = Sn and Ge) for CO 2 electroreduction through interface engineering: a theoretical prediction. Physical Chemistry Chemical Physics 2020, 22 (13) , 6896-6905. https://doi.org/10.1039/D0CP00062K
    45. Xin Li, Zhenyu Sun. Application of two-dimensional materials for electrochemical carbon dioxide reduction. 2020, 289-326. https://doi.org/10.1016/B978-0-12-816723-6.00012-5
    46. Zhao Mo, Xingwang Zhu, Zhifeng Jiang, Yanhua Song, Daobin Liu, Hongping Li, Xiaofei Yang, Yuanbin She, Yucheng Lei, Shouqi Yuan, Huaming Li, Li Song, Qingyu Yan, Hui Xu. Porous nitrogen-rich g-C3N4 nanotubes for efficient photocatalytic CO2 reduction. Applied Catalysis B: Environmental 2019, 256 , 117854. https://doi.org/10.1016/j.apcatb.2019.117854
    47. Huimin Zhou, Kang Liu, Hongmei Li, Maoqi Cao, Junwei Fu, Xiaohui Gao, Junhua Hu, Wenzhang Li, Hao Pan, Jing Zhan, Qihou Li, Xiaoqing Qiu, Min Liu. Recent advances in different-dimension electrocatalysts for carbon dioxide reduction. Journal of Colloid and Interface Science 2019, 550 , 17-47. https://doi.org/10.1016/j.jcis.2019.04.077
    48. Daniele Perilli, Daniele Selli, Hongsheng Liu, Cristiana Di Valentin. Computational Electrochemistry of Water Oxidation on Metal‐Doped and Metal‐Supported Defective h‐BN. ChemSusChem 2019, 12 (9) , 1995-2007. https://doi.org/10.1002/cssc.201802499
    49. Xin Tan, Hassan A. Tahini, Hamidreza Arandiyan, Sean C. Smith. Electrocatalytic Reduction of Carbon Dioxide to Methane on Single Transition Metal Atoms Supported on a Defective Boron Nitride Monolayer: First Principle Study. Advanced Theory and Simulations 2019, 2 (3) https://doi.org/10.1002/adts.201800094
    50. Qianyi Cui, Gangqiang Qin, Weihua Wang, Lixiang Sun, Aijun Du, Qiao Sun. Mo-doped boron nitride monolayer as a promising single-atom electrocatalyst for CO 2 conversion. Beilstein Journal of Nanotechnology 2019, 10 , 540-548. https://doi.org/10.3762/bjnano.10.55
    51. Haosheng Hu, Liangqi Gui, Wei Zhou, Jian Sun, Jianmei Xu, Qing Wang, Beibei He, Ling Zhao. Partially reduced Sn/SnO2 porous hollow fiber: A highly selective, efficient and robust electrocatalyst towards carbon dioxide reduction. Electrochimica Acta 2018, 285 , 70-77. https://doi.org/10.1016/j.electacta.2018.08.002
    52. Dmitry V. Shtansky, Konstantin L. Firestein, Dmitri V. Golberg. Fabrication and application of BN nanoparticles, nanosheets and their nanohybrids. Nanoscale 2018, 10 (37) , 17477-17493. https://doi.org/10.1039/C8NR05027A

    ACS Applied Materials & Interfaces

    Cite this: ACS Appl. Mater. Interfaces 2018, 10, 7, 6694–6700
    Click to copy citationCitation copied!
    https://doi.org/10.1021/acsami.7b17600
    Published February 1, 2018
    Copyright © 2018 American Chemical Society

    Article Views

    2856

    Altmetric

    -

    Citations

    Learn about these metrics

    Article Views are the COUNTER-compliant sum of full text article downloads since November 2008 (both PDF and HTML) across all institutions and individuals. These metrics are regularly updated to reflect usage leading up to the last few days.

    Citations are the number of other articles citing this article, calculated by Crossref and updated daily. Find more information about Crossref citation counts.

    The Altmetric Attention Score is a quantitative measure of the attention that a research article has received online. Clicking on the donut icon will load a page at altmetric.com with additional details about the score and the social media presence for the given article. Find more information on the Altmetric Attention Score and how the score is calculated.