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| 1 | Operando HERFD-XANES and surface sensitive Δμ analyses identify the structural evolution of copper(Ⅱ) phthalocyanine for electroreduction of CO_(2)显示文摘The quantitative understanding of how atomic-level catalyst structural changes affect the reactivity of the electrochemical CO_(2)reduction reaction is challenging.Due to the complexity of catalytic systems,conventional in situ X-ray spectroscopy plays a limited role in tracing the underlying dynamic structural changes in catalysts active sites.Herein,operando high-energy resolution fluorescence-detected X-ray absorption spectroscopy was used to precisely identify the dynamic structural transformation of well-defined active sites of a representative model copper(Ⅱ)phthalocyanine catalyst which is of guiding significance in studying single-atom catalysis system.Comprehensive X-ray spectroscopy analyses,including surface sensitive△μspectra which isolates the surface changes by subtracting the disturb of bulk base and X-ray absorption near-edge structure spectroscopy simulation,were used to discover that Cu species aggregated with increasing applied potential,which is responsible for the observed evolution of C_(2)H_(4).The approach developed in this work,characterizing the active-site geometry and dynamic structural change,is a novel and powerful technique to elucidate complex catalytic mechanisms and is expected to con tribute to the rational design of highly effective catalysts. | Bingbao Mei Cong Liu Ji Li Songqi Gu Xianlong Du Siyu Lu Fei Song Weilin Xu Zheng Jiang | 2022 | Journal of Energy Chemistry2022，31，1： | 3 |
| 2 | Northeast power system simulator(NEPSS)显示文摘1.IntroductionThe Northeast Power System is one of the four bulk powersystems in China,which covers the provinces of Liaoning,Jilin,Heilongjiang and a small part of Inner Mongolia.The total installedcapacity in 1990 was 21,300 MW and the peak demand was 13,600MW.The Control Center is in Shenyang.The dispatching automationsystem which is mainly composed of a dual computer system(2XVAX785)was installed and put into operation in 1988.The plan | Gu Yongchang Wang Xinfeng Li Wenping Sun Guosheng Electrical Engineering Department of Tsinghua UniversityYang Songqi Xu Muliang Yang Kexuan Huang Yingju Electric Power Dispatching and Communication Bureau of Northeast Power Administration.P.R.China | 1992 | Electricity1992，，4： | 1 |
| 3 | Role of local coordination in bimetallic sites for oxygen reduction: A theoretical analysis显示文摘Understanding of the oxygen reduction reaction(ORR)mechanism for single atom catalysts is pivotal for the rational design of non-precious metal cathode materials and the commercialization of fuel cells.Herein,a series of non-precious metal electrocatalysts based on nitrogen-doped bimetallic(Fe and Co)carbide were modeled by density functional theory calculations to predict the corresponding reaction pathways.The study elucidated prior oxygen adsorption on the Fe atom in the dual site and the modifier role of Co atoms to tune the electronic structures of Fe.The reaction activity was highly correlated with the bimetallic center and the coordination environment of the adjacent nitrogen.Interestingly,the preadsorption of*OH resulted in the apparent change of metal atoms'electronic states with the d-band center shifting toward the Fermi level,thereby boosting reaction activity.The result should help promote the fundamental understanding of active sites in ORR catalysts and provide an effective approach to the design of highly efficient ORR catalysts on an atomic scale. | Yuqi Yang Hao Zhang Zhaofeng Liang Yaru Yin Bingbao Mei Fei Song Fanfei Sun Songqi Gu Zheng Jiang Yuen Wu Zhiyuan Zhu | 2020 | Journal of Energy Chemistry2020，29，5： | 1 |
| 4 | Characterization of CoMn catalyst by in situ X-ray absorption spectroscopy and wavelet analysis for Fischer–Tropsch to olefins reaction显示文摘Cobalt carbide has recently been reported to catalyse the FTO con version of syngas with high selectivity for the production of lower olefins (C2-C4). Clarifying the formation process and atomic structure of cobalt carbide will help understand the catalytic mechanism of FTO. Herein, hydrogenati on of carb on monoxide was investigated for cobalt carbide synthesized from CoMn catalyst, followed by X-ray diffraction, transmission electron microscopy, temperature programmed reaction and in situ X-ray absorption spectroscopy. By monitoring the evolution of cobalt carbide during syngas conversion, the wavelet transform results give evidenee for the formation of the cobalt carbide and clearly demonstrate that the active site of catalysis was cobalt carbide. | Ruoou Yang Zhaoming Xia Ziang Zhao Fanfei Sun Xianlong Du Haisheng Yu Songqi Gu Liangshu Zhong Jingtai Zhao Yunjie Ding Zheng Jiang | 2019 | Journal of Energy Chemistry2019，28，5： | 0 |
| 5 | Unveiling the mechanism of charge compensation in Li_(2)Ru_(x)Mn_(1-x)O_(3)by tracking atomic structural evolution显示文摘The relationship between the structural evolution and redox of Li-rich transition-metal layered oxides(LLOs)cathodes remains ambiguous,obstructing the development of high-performance lithium-ion(Li^(+))battery.Herein,the coherent effects of local atomic and electronic structure in Li_(2)Ru_(x)Mn_(1-x)O_(3)(LRMO)with a wide voltage window(1.3–4.8 V)is identified by in situ X-ray absorption fine spectroscopy(XAFS)and chemometrics.We not only skillfully separated the redox active structures to track the electrochemical path,but also visualized the coupling mechanism between the evolution of Ru-Ru dimer and the(de)excitation of cations and anions.Furthermore,introducing manganese triggers the“heterogeneity”of coordination environment and electronic structure between Ru and Mn after discharge to 3 V.The change of thermodynamic and kinetic paths affects the relithiation,and further leads to the hysteresis of the anion activation structure relaxation of Li_(2)Ru_(0.4)Mn_(0.6)O_(3)relative to Li_(2)RuO_(3)(LRO).Additionally,it is demonstrated that the high charge cut-off voltage restrains the relaxation of anionic active structure in LRO from a new perspective through comparative experiments.Our work associates the evolution of atomic structure with charge compensation and negative electrochemical reactions such as voltage hysteresis(VH)and capacity attenuation,deepening the understanding electrochemical reaction mechanism of LLOs during the first cycle and providing a theoretical support for the further design and synthesis of high-efficiency cathodes. | Ji Li Hongzhou Liu Shun Zheng Yande Li Daming Zhu Fanfei Sun Jingyuan Ma Songqi Gu Panzhe Qiao Shuai Yang Xianlong Du Xiaosong Liu Zhi Liu Bingbao Mei Zheng Jiang | 2022 | Journal of Energy Chemistry2022，，12： | 0 |
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