Search Results - "Han, Zhong‐Kang"

Single-atom alloy catalysts designed by first-principles calculations and artificial intelligence by Han, Zhong-Kang, Sarker, Debalaya, Ouyang, Runhai, Mazheika, Aliaksei, Gao, Yi, Levchenko, Sergey V.

“…Single-atom-alloy catalysts (SAACs) have recently become a frontier in catalysis research. Simultaneous optimization of reactants’ facile dissociation and a…”
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Coherent vibrational dynamics reveals lattice anharmonicity in organic–inorganic halide perovskite nanocrystals by Debnath, Tushar, Sarker, Debalaya, Huang, He, Han, Zhong-Kang, Dey, Amrita, Polavarapu, Lakshminarayana, Levchenko, Sergey V., Feldmann, Jochen

“…The halide ions of organic-inorganic hybrid perovskites can strongly influence the interaction between the central organic moiety and the inorganic metal…”
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Boosting Up Electrosynthesis of Urea with Nitrate and Carbon Dioxide via Synergistic Effect of Metallic Iron Cluster and Single‐Atom by Li, Zhiwen, Xu, Mengqiu, Wang, Jiaqian, Zhang, Yifei, Liu, Wen, Gu, Xinrui, Han, Zhong‐Kang, Ye, Wei, Li, Gao

“…Electrocatalytic conversion of nitrates and carbon dioxide to urea under ambient conditions shows promise as a potential substitute for traditional urea…”
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Continuous dimethyl carbonate synthesis from CO2 and methanol over BixCe1−xOδ monoliths: Effect of bismuth doping on population of oxygen vacancies, activity, and reaction pathway by Chen, Yongdong, Li, Yue, Chen, Wei, Xu, Wen Wu, Han, Zhong-kang, Waheed, Ammara, Ye, Zhongbin, Li, Gao, Baiker, Alfons

“…We evaluated bismuth doped cerium oxide catalysts for the continuous synthesis of dimethyl carbonate (DMC) from methanol and carbon dioxide in the absence of a…”
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Water Adsorption and Dissociation on Ceria-Supported Single-Atom Catalysts: A First-Principles DFT+U Investigation by Han, Zhong-Kang, Gao, Yi

“…Single‐atom catalysts have attracted wide attention owing to their extremely high atom efficiency and activities. In this paper, we applied density functional…”
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Water‐Assisted Homolytic Dissociation of Propyne on a Reduced Ceria Surface by Zhong, Jian‐Qiang, Han, Zhong‐Kang, Werner, Kristin, Li, Xiao‐Yan, Gao, Yi, Shaikhutdinov, Shamil, Freund, Hans‐Joachim

“…The emergence of ceria (CeO2) as an efficient catalyst for the selective hydrogenation of alkynes has attracted great attention. Intensive research effort has…”
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Direct in-situ insights into the asymmetric surface reconstruction of rutile TiO2 (110) by Yuan, Wentao, Chen, Bingwei, Han, Zhong-Kang, You, Ruiyang, Jiang, Ying, Qi, Rui, Li, Guanxing, Wu, Hanglong, Ganduglia-Pirovano, Maria Veronica, Wang, Yong

“…The reconstruction of rutile TiO 2 (110) holds significant importance as it profoundly influences the surface chemistry and catalytic properties of this widely…”
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The Structure of Oxygen Vacancies in the Near-Surface of Reduced CeO2 (111) Under Strain by Han, Zhong-Kang, Zhang, Lei, Liu, Meilin, Ganduglia-Pirovano, Maria Verónica, Gao, Yi

“…Strain has been widely recognized as important for tuning the behavior of defects in metal oxides since properties such as defect configuration, electronic…”
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Computationally Guided Synthesis of High Performance Thermoelectric Materials: Defect Engineering in AgGaTe2 by Zhong, Yaqiong, Sarker, Debalaya, Fan, Tao, Xu, Liangliang, Li, Xie, Qin, Guang‐Zhao, Han, Zhong‐Kang, Cui, Jiaolin

“…The rational synthesis of high‐performance thermoelectric (TE) materials guided by theoretical design is still in its infancy. Here by computationally…”
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Effect of the Configuration of Copper Oxide–Ceria Catalysts in NO Reduction with CO: Superior Performance of a Copper–Ceria Solid Solution by Wang, Yuhang, Jiang, Qike, Xu, Liangliang, Han, Zhong-Kang, Guo, Song, Li, Gao, Baiker, Alfons

“…Various copper–ceria-based composites have attracted attention as efficient catalysts for the reduction of NO with CO. In this comparative study, we have…”
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Improving Symbolic Regression for Predicting Materials Properties with Iterative Variable Selection by Guo, Zhen, Hu, Shunbo, Han, Zhong-Kang, Ouyang, Runhai

“…Symbolic regression offers a promising avenue for describing the structure–property relationships of materials with explicit mathematical expressions, yet it…”
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Oxygen-Vacancy Dynamics and Entanglement with Polaron Hopping at the Reduced CeO2(111) Surface by Zhang, Dawei, Han, Zhong-Kang, Murgida, Gustavo E, Ganduglia-Pirovano, M Verónica, Gao, Yi

“…The migration of oxygen vacancies (VO) in ceria-based systems is crucial to their functionality in applications. Yet, although the VO’s structure and the…”
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Revealing Temperature-Dependent Oxidation Dynamics of Ni Nanoparticles via Ambient Pressure Transmission Electron Microscopy by You, Ruiyang, Ou, Yang, Qi, Rui, Yu, Jian, Wang, Fei, Jiang, Ying, Zou, Shihui, Han, Zhong-kang, Yuan, Wentao, Yang, Hangsheng, Zhang, Ze, Wang, Yong

“…Understanding the oxidation mechanism of metal nanoparticles under ambient pressure is extremely important to make the best use of them in a variety of…”
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CuCeOx/CuO Catalyst Derived from the Layered Double Hydroxide Precursor: Catalytic Performance in NO Reduction with CO in the Presence of Water and Oxygen by Li, Zhiwen, Zhang, Yifei, Jiang, Qike, Xu, Liangliang, Han, Zhong-Kang, Baiker, Alfons, Li, Gao

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Electronic structure, Raman spectra, and microwave dielectric properties of Co-substituted ZnWO4 ceramics by Zhang, Qin, Xu, Liangliang, Tang, Xiaoli, Huang, Fangyi, Wu, Xiaohui, Li, Yuanxun, Jing, Yulan, Han, Zhong-Kang, Su, Hua

“…•The electronic structure, chemical bond characteristics and microwave dielectric properties of Zn1-xCoxWO4 (x = 0–0.1) ceramics were investigated by…”
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In Situ Resolving the Atomic Reconstruction of SnO2 (110) Surface by Li, Guanxing, Li, Songda, Han, Zhong-Kang, Zou, Chen, Wu, Hanglong, Yuan, Wentao, Zhu, Beien, Gao, Yi, Yang, Hangsheng, Zhang, Ze, Wang, Yong

“…Understanding surface reconstruction of nanocrystals is of great importance to their applications, however it is still challenging due to lack of atomic-level…”
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Surface Segregation in CuNi Nanoparticle Catalysts During CO 2 Hydrogenation: The Role of CO in the Reactant Mixture by Zegkinoglou, Ioannis, Pielsticker, Lukas, Han, Zhong-Kang, Divins, Nuria J, Kordus, David, Chen, Yen-Ting, Escudero, Carlos, Pérez-Dieste, Virginia, Zhu, Beien, Gao, Yi, Cuenya, Beatriz Roldan

“…Surface segregation and restructuring in size-selected CuNi nanoparticles were investigated via near-ambient pressure X-ray photoelectron spectroscopy…”
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Unusual Facet-Dependent Sintering in Pd–TiO2 Catalysts Revealed by Theory and Experiment by Li, Songda, Xia, Yize, Ou, Yang, Wu, Zhemin, Jin, Zhu, Wang, Liang, Meng, Xiangju, Han, Zhong-Kang, Yuan, Wentao, Jiang, Ying, Wales, David J., Yang, Hangsheng, Wang, Yong

“…Engineering of support facet and metal valence states is recognized as an effective strategy for manipulating the sintering and dispersion of metal…”
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In situ TiC/Ti2Ni reinforced CrTi4-based composites during laser cladding by Xu, Liangliang, Liu, Yanan, Jeong, Se Yeong, Wang, Yue, Liu, Wei-Chieh, Wang, Quan, Lu, Jialin, Yang, Xuejiao, Han, Zhong-Kang, Sung, Tae Hyun

“…The in-situ TiC/Ti2Ni reinforced CrTi4-based laser cladding composite coating was fabricated on Ti811 alloy. The phased composition and microstructure of the…”
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Revealing Surface Restraint-Induced Hexagonal Pd Nanocrystals via In Situ Transmission Electron Microscopy by You, Ruiyang, Wu, Zhemin, Yu, Jian, Wang, Fei, Chen, Shiyuan, Han, Zhong-kang, Yuan, Wentao, Yang, Hangsheng, Wang, Yong

“…Achieving metal nanocrystals with metastable phase draws much attention due to their anticipated fascinating properties, wheras it is still challenging because…”
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