Journal Article10.1016/j.apcatb.2023.123020
Crystal structures of molybdenum borides dictate electrocatalytic ammonia synthesis efficiency
Gui Peng,Jianmin Zhao,Jiaqi Wang,Eli Hoenig,Suqin Wu,Mingzhan Wang,Lei Zhang,Jin-Xun Liu,Chong Liu +8 more
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TL;DR: In this paper , a synergistic design of eNRR and HER activity was proposed to achieve efficient electrocatalytic ammonia production with high e-NRR selectivity for low-valence molybdenum borides.
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Abstract: Rather than multivalence molybdenum (Mo), the low valence Mo has rarely been reported as active site for nitrogen reduction. Herein, molybdenum borides with various Mo-B stoichiometry ratios (Mo2B, α-MoB, and Mo2B4) in which Mo shows low valence (<1) are synthesized as electrochemical nitrogen reduction reaction (eNRR) catalysts. Mo2B4 demonstrates the highest NH3 yield of 7.65 µg/h/mg at -0.15 V with Faradaic efficiency (FE) of 12.47%, while α-MoB exhibits the fastest intrinsic eNRR reaction rate with a higher FE of 17.17% after considering electrochemically active surface area. DFT calculations reveal that both enzymatic and consecutive mechanisms via side-on configuration can proceed on α-MoB. Additionally, α-MoB exhibits suppressed HER activity due to an optimal surface B occupancy. The eNRR of molybdenum borides were verified qualitatively and quantitatively by 15N2 isotope experiments. This study demonstrated a synergistic design of eNRR and HER activity to achieve efficient electrocatalytic ammonia production with high eNRR selectivity.
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Citations
A Metal Coordination Number Determined Catalytic Performance in Manganese Borides for Ambient Electrolysis of Nitrogen to Ammonia.
Muhammad Asim Mushtaq,Anuj Kumar,Wei Liu,Qianqian Ji,Yonggui Deng,Ghulam Yasin,Ali Saad,Waseem Raza,Jie Zhao,Saira Ajmal,Yanyan Wu,Muhammad Ahmad,Najeeb ur Rehman Lashari,Yan Wang,Ting Bin Li,Sheng-Nan Sun,Dongdong Zheng,Yongsong Luo,Xingke Cai,Xuping Sun +19 more
TL;DR: The coordination number of Mn atoms in manganese borides influences their catalytic performance for nitrogen electroreduction to ammonia. Increasing the coordination number of Mn atoms enhances the intrinsic activity and facilitates the adsorption and hydrogenation of N2, leading to high ammonia yield and Faradaic efficiency.
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Recent Developments and Future Perspectives of Molybdenum Borides and MBenes.
Chandra Sekhar Rout,Pratik V. Shinde,Abhinandan Patra +2 more
TL;DR: Recent developments and future perspectives of molybdenum borides and MBenes focus on their remarkable properties and potential applications in various fields.
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Multi-site intermetallic Ni3Mo effectively boosts selective ammonia synthesis
H.Y. Zhou,Yanchao Qu,Y.C. Fan,Z.L. Wang,Xing-You Lang,J. Li,Qingmei Jiang +6 more
TL;DR: Researchers developed a Ni3Mo electrocatalyst that boosts selective ammonia synthesis by optimizing N2 activation and hydrogenation sites, achieving efficient nitrogen reduction reaction with low limiting potential and high NH3 yield rate.
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Interface engineering of Co<sub>2</sub>B-MoO<sub>3</sub>/MOF heterojunction with rich cobalt defects for highly enhanced NaBH<sub>4</sub> hydrolysis
Chenxi Shang,Luyan Shi,Shuqing Zhou,Sheraz Muhammad,Tayirjan Taylor Isimjan,Huancheng Hu,Xiulin Yang +6 more
TL;DR: A self-sacrificial template strategy synthesizes Co2B-MoO3/MOF with rich cobalt defects, achieving a high hydrogen generation rate of 6893.1 mL min^-1 g^-1 through synergy between Co2B and MoO3.
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Density Functional Theory Investigation on the Nitrogen Reduction Mechanism in Two-Dimensional Transition-Metal Boride with Ordered Metal Vacancies
TL;DR: This study applies Density Functional Theory to investigate the nitrogen reduction mechanism in 2D transition-metal borides with ordered metal vacancies, aiming to elucidate their impact on catalyst performance and overcome experimental synthesis challenges.
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Promoting nitrogen electroreduction to ammonia with bismuth nanocrystals and potassium cations in water
Yu-Chen Hao,Yu Guo,Li-Wei Chen,Miao Shu,Xin-Yu Wang,Tong-An Bu,Wen-Yan Gao,Nan Zhang,Xin Su,Xiao Feng,Junwen Zhou,Bo Wang,Changwen Hu,Anxiang Yin,Rui Si,Ya-Wen Zhang,Chun-Hua Yan,Chun-Hua Yan +17 more
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