Article
Chemistry, Physical
Ling-Chan Tian, Jin-Nian Hu, Yang Meng, Jin-Xia Liang, Chun Zhu, Jun Li
Summary: In this study, a non-noble metal catalyst, nickel single-atom catalyst (SAC) of Ni-1/UiO-66-NH2, was reported for the electrochemical reduction of CO2 to CH4. The catalyst exhibited high stability and selectivity, with CH4 being the predominant product. Theoretical calculations showed that the Ni-1/UiO-66-NH2 catalyst had a low limiting potential and suppressed the competitive hydrogen evolution reaction. This work provides a theoretical foundation for the further development and application of SAC electrocatalysts in CO2 reduction.
Article
Materials Science, Multidisciplinary
Chenhuai Yang, Zengqiang Gao, Dingjia Wang, Shuyu Li, Junjun Li, Yating Zhu, Haiqing Wang, Wenjuan Yang, Xuejiao J. Gao, Zhicheng Zhang, Wenping Hu
Summary: The study developed a crystalline bimetallic phthalocyanine heterostructure catalyst that efficiently converts CO2 to CO with excellent long-term stability. Density functional theory calculations revealed the mechanism behind the improved CO2RR performance.
SCIENCE CHINA-MATERIALS
(2022)
Article
Engineering, Environmental
Liming Qiu, Shuwen Shen, Cheng Ma, Chunmei Lv, Xing Guo, Hongliang Jiang, Zhen Liu, Wenming Qiao, Licheng Ling, Jitong Wang
Summary: This study successfully develops Ni SACs with well-defined low-coordination nickel-nitrogen sites via a facile sacrificial template method. The Ni single atoms coordinated by three N atoms exhibit excellent activity and selectivity for electrocatalytic CO2 reduction, suggesting a new approach for efficient CO2 conversion.
CHEMICAL ENGINEERING JOURNAL
(2022)
Article
Materials Science, Multidisciplinary
Jin-Hang Liu, Xiaohua Cao, Ruirui Wang, Xiudong Chen, Yawei Wang, Pinghua Yang, Jiamin Long, Xiaojie Yin, Zijian Huang, Dapeng Cao
Summary: In this study, a series of TM-N2O2Cx (TM = Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, and Zn) single-atom catalysts were designed and their catalytic activities for CO2RR were investigated using density functional theory. The results showed that these catalysts exhibited excellent selectivity towards three different CO2RR products, including CH4, CO, and HCOOH at relatively low overpotentials. The CO2RR products of Sc-N2O2Cx, Mn-N2O2Cx, and Zn-N2O2Cx were CO, while V-N2O2Cx produced CH4, and the other six catalysts produced HCOOH. Moreover, the best pathway for CH4 formation was also revealed. These TM-N2O2Cx catalysts demonstrated high catalytic activity for electrocatalytic CO2RR, providing useful information for the synthesis of promising CO2RR catalysts by experimental scientists.
SCIENCE CHINA-MATERIALS
(2023)
Article
Chemistry, Multidisciplinary
Chenghong Hu, Yue Zhang, Anqian Hu, Yajing Wang, Xiaoming Wei, Kui Shen, Liyu Chen, Yingwei Li
Summary: A strategy of synergistically near- and long-range regulation is reported to effectively modulate the electronic structure of single-atom sites. ZnN4S1/P-HC exhibits excellent performance for CO2 reduction reaction (CO2RR) with a Faraday efficiency of CO close to 100%. The coupling of CO2RR with hydrazine oxidation reaction in a two-electrode electrolyzer can greatly lower the cell voltage, theoretically saving 46% of energy consumption.
ADVANCED MATERIALS
(2023)
Article
Chemistry, Multidisciplinary
Yucheng Cao, Suya Chen, Shuowen Bo, Wenjun Fan, Jiangnan Li, Chunmei Jia, Zhen Zhou, Qinghua Liu, Lirong Zheng, Fuxiang Zhang
Summary: This study reports a single-atom bismuth-decorated copper alloy catalyst that can effectively modulate the selectivity of carbon dioxide reduction to multi-carbon products. The catalyst exhibits superior performance and stability, making it a promising candidate for electrocatalytic reduction of CO2.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Article
Chemistry, Physical
Chaochen Xu, Xing Zhi, Anthony Vasileff, Dan Wang, Bo Jin, Yan Jiao, Yao Zheng, Shi-Zhang Qiao
Summary: Cu-based electrocatalysts with high catalytic selectivity for the CO2 reduction reaction are a significant technological challenge. A Cu single atom catalyst, Cu-N-4-NG, has been developed for the selective electrocatalytic reduction of CO2 to CO, achieving an 80.6% Faradaic efficiency under moderate applied potential. The single-atom structure and coordination environment, along with moiety-anchoring graphene, contribute to the high selectivity and efficiency of CO production on Cu-N-4-NG compared to bulk Cu catalysts.
Article
Nanoscience & Nanotechnology
Lu Xu, Li-Ming Yang, Eric Ganz
Summary: The study investigates the use of a large class of metal atoms anchored onto borophene as single atom catalysts for ammonia synthesis, identifying four potential candidates with superior performance. Additionally, Mo@BM-beta(12) and Mn@BM-beta(12) demonstrated HER suppression, surpassing most current nitrogen reduction reaction electrocatalysts in terms of performance.
ACS APPLIED MATERIALS & INTERFACES
(2021)
Article
Engineering, Environmental
Shuai Liu, Mengmeng Jin, Jiaqiang Sun, Yongji Qin, Sanshuang Gao, Yu Chen, Shusheng Zhang, Jun Luo, Xijun Liu
Summary: In this study, Fe-SA/BNC material was successfully fabricated and exhibited excellent CO2 reduction reaction activity, achieving remarkable current density and Faradaic efficiency through MEA. Density functional theory (DFT) calculations revealed the positive effect of introducing B on the desorption of *CO. Furthermore, the assembled Zn-CO2 battery demonstrated outstanding peak power density and stability for CO production.
CHEMICAL ENGINEERING JOURNAL
(2022)
Article
Chemistry, Physical
Jiazhi Wang, Qi Hao, Haixia Zhong, Kai Li, Xinbo Zhang
Summary: In this study, an isolated single-atom Ni catalyst regulated strategy was developed to activate and stabilize the iron phthalocyanine molecule (Ni SA@FePc) for a highly efficient CO2RR process at low overpotential. Ni SA@FePc showed significantly enhanced CO2RR performance compared to single-atom Ni catalyst and FePc molecule, thanks to its well-defined and homogenous catalytic centers with unique structures.
Review
Materials Science, Multidisciplinary
Qian Li, Yu-Chao Wang, Jian Zeng, Xin Zhao, Chen Chen, Qiu-Mei Wu, Li-Miao Chen, Zhi-Yan Chen, Yong-Peng Lei
Summary: Electrocatalytic CO2 reduction using bimetallic chalcogenides has gained significant attention due to their adjustable electronic structure, abundant active sites, low cost, environmental friendliness, and excellent electrochemical performance. Different hybridizations between metal atoms have been shown to improve the catalytic selectivity and activity of CO2RR.
Article
Chemistry, Physical
Shuaishuai Gao, Zuju Ma, Chengwei Xiao, Wei Du, Xueqin Sun, Qiaohong Li, Rongjian Sa, Chenghua Sun
Summary: The potential application of boron nitride nanotube-based catalysts in electrocatalytic nitrogen reduction reaction (eNRR) was investigated. Among them, Os-doped single-atom catalyst showed significant promotion of the NRR process, with low overpotential and high selectivity. The synergistic collaboration of the single-atom Os catalyst and curved surface of BNNT facilitates the NRR process.
APPLIED SURFACE SCIENCE
(2022)
Article
Chemistry, Multidisciplinary
Siying Liu, Desheng Zheng, Lei Zhao, Xiuyun Zhao, Xin Chen
Summary: This study systematically investigates the catalytic performance of four rare earth metals anchored into N-graphene for CO2RR. Nd@N-6-G exhibits the best catalytic activity among the catalysts studied.
Review
Chemistry, Multidisciplinary
Huabin Zhang, Weiren Cheng, Deyan Luan, Xiong Wen (David) Lou
Summary: Developing electrocatalytic energy conversion technologies using single-atom catalysts holds great promise in addressing fossil fuel exhaustion and environmental issues. The rational design of coordination and microenvironments significantly impacts the reaction mechanisms and catalytic performance of SACs. Recent advancements in atomically dispersed reactive centers for electrocatalytic CO2 reduction and water splitting show potential for future research and application of SACs in energy conversion.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2021)
Article
Chemistry, Physical
Canyu Zhang, Kuo Yang, Luowei Li, Wenju Liu, Ziqian Yang, Qiue Cao, Wei Li, Shixi Liu
Summary: The electrocatalytic performance of nitrogen-doped vanadium disulfide nanosheets loaded with various transition metal single atoms for the reduction of carbon dioxide was systematically evaluated. The results showed that these catalysts exhibited excellent performance in reducing carbon dioxide to methane, with low reaction energy barriers.
APPLIED SURFACE SCIENCE
(2023)
Review
Chemistry, Physical
Qi Yu, Jianchao Jiang, Liyun Jiang, Qingqing Yang, Ning Yan
Summary: Green synthesis of graphene has gained significant attention for its potential in sustainable developments, with various environmentally friendly synthesis methods being explored. The exceptional properties of graphene make it ideal for applications in energy storage, catalysis, electrochemistry, and other fields.
Article
Energy & Fuels
Jianchao Jiang, Liyun Jiang, Ping Rong, Kechen Wu, Qingqing Yang, Qi Yu
Summary: This study investigates the synthesis of B-N co-doped ZnO nanorod arrays on a PET substrate through the hydrothermal method, and examines the impact of B-N co-doping on the electronic structure of ZnO using density functional theory. The experimental results demonstrate that B-N co-doped ZnO exhibits clear rectification characteristics.
FRONTIERS IN ENERGY RESEARCH
(2021)
Article
Chemistry, Physical
Ping Rong, Ya-Fei Jiang, Qi Wang, Meng Gu, Xue-Lian Jiang, Qi Yu
Summary: Cu-1-ZnO/GPET composite material with Cu atom dopants shows significantly enhanced photocatalytic activity. The Cu atoms capture photogenerated electrons and help separate them from holes, leading to the activation of O2 and the generation of hydroxyl radicals through reaction with water, resulting in efficient degradation of pollutants.
JOURNAL OF MATERIALS CHEMISTRY A
(2022)
Article
Chemistry, Physical
Jian-Chao Jiang, Jun-Chi Chen, Meng-die Zhao, Qi Yu, Yang-Gang Wang, Jun Li
Summary: In this study, a series of Cu-based single-atom alloy catalysts (SAAs) were designed and evaluated for CO2RR. The catalysts showed improved activity for CO2 hydrogenation compared to pure Cu catalysts. The bond angle of adsorbed *CO2 and binding energy of *OH were identified as indicators for CO2 activation ability and CO2RR activity, respectively.
Article
Chemistry, Multidisciplinary
Max J. Hulsey, Sambath Baskaran, Shipeng Ding, Sikai Wang, Hiroyuki Asakura, Shinya Furukawa, Shibo Xi, Qi Yu, Cong-Qiao Xu, Jun Li, Ning Yan
Summary: Understanding the structure-activity correlations for heterogeneous single-atom catalysts (SACs) is crucial for catalytic design. In this study, we found that linear scaling relations were not applicable for SACs and established multiple scaling relations between activity and calculated descriptors. The thermodynamic driving force for oxygen vacancy formation was identified as an important factor in addition to substrate adsorption energies, particularly for CO. This work presents a successful approach for re-establishing scaling relations for SACs and has broad implications for catalytic processes involving this type of catalyst.
Review
Chemistry, Physical
Qingqing Yang, Yafei Jiang, Hongying Zhuo, Ellen M. Mitchell, Qi Yu
Summary: Single-atom catalysts (SACs) are highly sought after in heterogeneous catalysis due to their exceptional catalytic performance and stability. Metal SACs have distinct advantages in activity, selectivity, and tunable interactions with supports. This review summarizes the preparation and performance of metal SACs in energy-related applications, including oxygen reduction, hydrogen evolution, N2 reduction, methane conversion, CO2 reduction, CO oxidation, biomass conversion, and environmental pollutant degradation. The challenges and development trends of SACs in industrial applications are discussed.
Article
Materials Science, Multidisciplinary
Qiping Shi, Zhaoyu Luo, Liyun Jiang, Xiaojiao Li, Cuizhen Bai, Qi Yu
Summary: Co-doped ZnO nanocomposites were prepared via hydrothermal method on flexible substrates of polyethylene terephthalate-indium tin oxide (PET-ITO). The crystal structure, doping mechanism, and photocatalytic properties were intensively investigated. Compared to pure ZnO, Co-ZnO exhibited distinct photocatalytic activity with a degradation rate of 71.36% for methylene blue (MB) solution. The stable electronic structures and possible electronic sites for Co elements were discussed through theoretical calculations. Meanwhile, the mechanism to enhance the photocatalytic activity of ZnO was also discussed.
Review
Materials Science, Multidisciplinary
Xiaojiao Li, Xiaohu Yu, Qi Yu
Summary: This article reviews the recent progress of Cu-based single-atom catalysts (SACs) in CO2 reduction reaction (CO2 RR), discussing the regulatory strategies for the interaction of the active site with key reaction intermediates. Different design strategies, including the regulation of metal centers, Cu-based single-atom alloy catalysts (SAAs), non-metal SACs, tandem catalysts, and composite catalysts, are also reviewed. Furthermore, the current challenges and future developments of SACs in CO2 RR are summarized.
SCIENCE CHINA-MATERIALS
(2023)