• Journal of Inorganic Materials
  • Vol. 37, Issue 10, 1141 (2022)
Jing WU1, Libing YU1, Shuaishuai LIU1, Qiuyan HUANG1, Shanshan JIANG1, Matveev ANTON2, Lianli WANG3, Erhong SONG4、*, and Beibei XIAO1、*
Author Affiliations
  • 11. School of Energy and Power Engineering, Jiangsu University of Science and Technology, Zhenjiang 212003, China
  • 22. National Research Ogarev Mordovia State University, Saransk 430005, Russia
  • 33. School of Materials Science and Engineering, Xi’an University of Science and Technology, Xi’an 710054, China
  • 44. State Key Laboratory of High Performance Ceramics and Superfine Microstructure, Shanghai Institute of Ceramics, Chinese Academy of Sciences, Shanghai 200050, China
  • show less
    DOI: 10.15541/jim20220033 Cite this Article
    Jing WU, Libing YU, Shuaishuai LIU, Qiuyan HUANG, Shanshan JIANG, Matveev ANTON, Lianli WANG, Erhong SONG, Beibei XIAO. NiN4/Cr Embedded Graphene for Electrochemical Nitrogen Fixation [J]. Journal of Inorganic Materials, 2022, 37(10): 1141 Copy Citation Text show less
    References

    [1] Y WANG, K JIA, Q PAN et al. Boron-doped TiO2 for efficient electrocatalytic N2 fixation to NH3 at ambient conditions. ACS Sustain. Chem. Engineer., 117-122(2018).

    [2] H Y LI, L YANG, Z X WANG et al. N-heterocyclic carbene as a promising metal-free electrocatalyst with high efficiency for nitrogen reduction to ammonia. J. Energy Chem., 78-86(2020).

    [3] Q Y LI, L Z HE, C H SUN et al. Computational study of MoN2 monolayer as electrochemical catalysts for nitrogen reduction. J. Phys. Chem. C, 27563-27568(2017).

    [4] C CHOI, S BACK, N Y KIM et al. Suppression of hydrogen evolution reaction in electrochemical N2 reduction using single- atom catalysts: a computational guideline. ACS Catal., 7517-7525(2018).

    [5] W H ZHAO, L F ZHANG, Q Q LUO et al. Single Mo1(Cr1) atom on nitrogen-doped graphene enables highly selective electroreduction of nitrogen into ammonia. ACS Catal., 3419-3425(2019).

    [6] S Y WANG, L SHI, X W BAI et al. Highly efficient photo-/ electrocatalytic reduction of nitrogen into ammonia by dual-metal sites. ACS Central Sci., 1762-1771(2020).

    [7] B Y MA, Y PENG, D W Ma et al. Boron-doped InSe monolayer as a promising electrocatalyst for nitrogen reduction into ammonia at ambient conditions. Appl. Surf. Sci., 143463(2019).

    [8] C Y LING, X H NIU, Q LI et al. Metal-free single atom catalyst for N2 fixation driven by visible light. J. Am. Chem. Soc., 14161-14168(2018).

    [9] X LIU, Z X WANG, J ZHAO et al. Two-dimensional π-conjugated osmium bis(dithiolene) complex (OsC4S4) as a promising electrocatalyst for ambient nitrogen reduction to ammonia. Appl. Surf. Sci., 833-839(2019).

    [10] S JI, Z X WANG, J X ZHAO. A boron-interstitial doped C2N layer as a metal-free electrocatalyst for N2 fixation: a computational study. J. Mater. Chem. A, 2392-2399(2019).

    [11] X ZHANG, A CHEN, Z H ZHANG et al. Double-atom catalysts: transition metal dimer-anchored C2N monolayers as N2 fixation electrocatalysts. J. Mater. Chem. A, 18599-18604(2018).

    [12] F F LI, L CHEN, H M LIU et al. Enhanced N2-fixation by engineering the edges of two-dimensional transition-metal disulfides. J. Phys. Chem. C, 22221-22227(2019).

    [13] G Q QIN, Q Y CUI, A J DU et al. Transition metal diborides: a new type of high-performance electrocatalysts for nitrogen reduction. ChemCatChem, 2624-2633(2019).

    [14] H R ZHU, Y L HU, S H WEI et al. Single-metal atom anchored on boron monolayer (β12) as an electrocatalyst for nitrogen reduction into ammonia at ambient conditions: a first-principles study. J. Phys. Chem. C, 4274-4281(2019).

    [15] S M WANG, L ZHANG, Y QIN et al. Co, N-codoped graphene as efficient electrocatalyst for hydrogen evolution reaction: insight into the active centre. J. Power Sources, 260-268(2017).

    [16] Y L YANG, J D LIU, Z X WEI et al. Transition metal-dinitrogen complex embedded graphene for nitrogen reduction reaction. ChemCatChem, 2821-2827(2019).

    [17] M RIYAZ, N GOEL. Single-atom catalysis using chromium embedded in divacant graphene for conversion of dinitrogen to ammonia. ChemPhysChem, 1954-1959(2019).

    [18] C N SUN, Z L WANG, X Y LANG et al. Synergistic effect of active sites of double-atom catalysts for nitrogen reduction reaction. ChemSusChem, 4593-4600(2021).

    [19] X N ZHENG, Y YAO, Y WANG et al. Tuning the electronic structure of transition metals embedded in nitrogen-doped graphene for electrocatalytic nitrogen reduction: a first-principles study. Nanoscale, 9696-9707(2020).

    [20] Y ZHOU, E H SONG, W CHEN et al. Dual-metal interbonding as the chemical facilitator for single-atom dispersions. Adv. Mater., e2003484(2020).

    [21] B DELLY. An all-electron numerical method for solving the local density functional for polyatomic molecules. J. Chem. Phys., 508-517(1990).

    [22] B DELLY. From molecules to solids with the DMol3 approach. J. Chem. Phys., 7756-7764(2000).

    [23] J P OERDEW, K BURKE, M ERNZERHOF. Generalized gradient approximation made simple. Phys. Rev. Lett., 3865-3868(1996).

    [24] B DELLY. Hardness conserving semilocal pseudopotentials. Phys. Rev. B, 155125(2002).

    [25] T TODOROVA, B DELLY. Wetting of paracetamol surfaces studied by DMol3-COSMO calculations. Mol. Simulat., 1013-1017(2008).

    [26] Z X WEI, Y F ZHANG, S Y WANG et al. Fe-doped phosphorene for the nitrogen reduction reaction. J. Mater. Chem. A, 13790-13796.

    [27] L SHI, Q LI, C Y LING et al. Metal-free electrocatalyst for reducing nitrogen to ammonia using a Lewis acid pair. J. Mater. Chem. A, 4865-4871(2019).

    [28] C H JIANG, R Q ZHOU, Z H PENG et al. An atomically thin layer of Ru/MoS2 heterostructure: structural, electronic, and magnetic properties. Phys. Chem. Chem. Phys., 32528-32533(2016).

    [29] X M YU, P HAN, Z X WEI et al. Boron-doped graphene for electrocatalytic N2 reduction. Joule, 1610-1622(2018).

    [30] J K NORSKOV, J ROSSMEISL, A LOGADOTTIR et al. Origin of the overpotential for oxygen reduction at a fuel-cell cathode. J. Phys. Chem. B, 17886-17892(2004).

    [31] L YANG, S FENG, W ZHU. Tuning nitrate electroreduction activity via an equilibrium adsorption strategy: a computational study. J Phys. Chem. Lett., 1726-1733(2022).

    [32] D H LIM, J WILCOX. Mechanisms of the oxygen reduction reaction on defective graphene-supported Pt nanoparticles from first-principles. J. Phys. Chem. C, 3653-3660(2012).

    [33] J YIN, Q H FANG, Y X LI et al. Ni-C-N nanosheets as catalyst for hydrogen evolution reaction. J. Am. Chem. Soc., 14546-14549(2016).

    [34] H W LIANG, S BRULLER, R H DONG et al. Molecular metal-Nx centres in porous carbon for electrocatalytic hydrogen evolution. Nat. Commun., 7992(2015).

    [35] C Y LING, Y X OUYANG, Q LI et al. A general two-step strategy-based high-throughput screening of single atom catalysts for nitrogen fixation. Small Methods, 1-8(2019).

    [36] J M QI, L Y GAO, F F WEI et al. Design of a high-performance electrocatalyst for N2 conversion to NH3 by trapping single metal atoms on stepped CeO2. ACS Appl. Mater. Interfaces, 47525-47534(2019).

    [37] E SKULASON, T BLIFAARD, S GUDMUNDSDOTTIR. A theoretical evaluation of possible transition metal electro- catalysts for N2 reduction. Phys. Chem. Chem. Phys., 1235-1245(2012).

    [38] W I CHOI, B C WOOD, E SCHWEGLER et al. Combinatorial search for high-activity hydrogen catalysts based on transition- metal-embedded graphitic carbons. Adv. Energy Mater., 1501423(2015).

    [39] C W LIU, Q Y LI, J ZHANG et al. Conversion of dinitrogen to ammonia on Ru atoms supported on boron sheets: a DFT study. J. Mater. Chem. A, 4771-4776(2019).

    [40] X F LI, Q K LI, J CHENG et al. Conversion of dinitrogen to ammonia by FeN3-embedded graphene. J. Am. Chem. Soc., 8706-8709(2016).

    [41] W B QIU, X Y XIE, J D QIU et al. High-performance artificial nitrogen fixation at ambient conditions using a metal-free electrocatalyst. Nat. Commun., 3485(2018).

    [42] Y GUO, J X GU, R ZHANG et al. Molecular crowding effect in aqueous electrolytes to suppress hydrogen reduction reaction and enhance electrochemical nitrogen reduction. Adv. Energy Mater., 2101699(2021).

    [43] Y X GUO, Z Y YAO, B J J TIMMER et al. Boosting nitrogen reduction reaction by bio-inspired FeMoS containing hybrid electrocatalyst over a wide pH range. Nano Energy, 62, 282-288(2019).

    [44] X WANG, Z FENG, B XIAO et al. Polyoxometalate-based metal-organic framework-derived bimetallic hybrid materials for upgraded electrochemical reduction of nitrogen. Green Chem., 6157-6169(2020).

    [45] J X ZHAO, Z F CHEN. Single Mo atom supported on defective boron nitride monolayer as an efficient electrocatalyst for nitrogen fixation: a computational study. J. Am. Chem. Soc., 12480-12487(2017).

    [46] C Y LING, X W BAI, Y X OUYANG et al. Single molybdenum atom anchored on N-doped carbon as a promising electrocatalyst for nitrogen reduction into ammonia at ambient conditions. J. Phys. Chem. C, 16842-16847(2018).

    [47] Y B WU, C HE, W X ZHANG. “Capture-backdonation-recapture” mechanism for promoting N2 reduction by heteronuclear metal- free double-atom catalysts. J Am. Chem. Soc., 9344-9353(2022).

    Jing WU, Libing YU, Shuaishuai LIU, Qiuyan HUANG, Shanshan JIANG, Matveev ANTON, Lianli WANG, Erhong SONG, Beibei XIAO. NiN4/Cr Embedded Graphene for Electrochemical Nitrogen Fixation [J]. Journal of Inorganic Materials, 2022, 37(10): 1141
    Download Citation