Search Results - "Fan, Guozheng"

Tuning spontaneous polarization to alter water oxidation/reduction activities of LiNbO3 by Fu, Hongwei, Song, Yan, Wu, Yangqing, Huang, Huiting, Fan, Guozheng, Xu, Jun, Li, Zhaosheng, Zou, Zhigang

“…Here, we investigated the effects of spontaneous polarization on photoreactivities by using a ferroelectric material n-type congruent LiNbO3 single crystal as…”
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Tandem photoelectrochemical cells for solar water splitting by Chen, Qi, Fan, Guozheng, Fu, Hongwei, Li, Zhaosheng, Zou, Zhigang

“…Photoelectrochemical (PEC) water splitting without an external bias is a potential solution to the growing energy crisis because this method can directly…”
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Effect of Fluorine on the Structure of High Al2O3-Bearing System by Molecular Dynamics Simulation by Fan, Guozheng, He, Shengping, Wu, Ting, Wang, Qian

“…Calcium aluminosilicate is the most important slag system in continuous casting, while CaF 2 is commonly used as a fluxing agent in mold fluxes. In this study,…”
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Facet-Dependent Enhancement in the Activity of Bismuth Vanadate Microcrystals for the Photocatalytic Conversion of Methane to Methanol by Zhu, Wenlei, Shen, Meikun, Fan, Guozheng, Yang, Alicia, Meyer, James R, Ou, Yining, Yin, Bo, Fortner, John, Foston, Marcus, Li, Zhaosheng, Zou, Zhigang, Sadtler, Bryce

“…Photocatalysis provides a route to convert methane into an energy-dense, liquid fuel, such as methanol, using only natural gas, sunlight, water (or oxygen),…”
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Molecular Dynamics Analysis of the Microstructure of the CaO-P2O5-SiO2 Slag System with Varying P2O5/SiO2 Ratios by Fan, Guozheng, Diao, Jiang, Jiang, Lu, Zhang, Zhen, Xie, Bing

“…The structures of the CaO-P2O5-SiO2 slag system with varying P2O5/SiO2 ratios at a fixed CaO content have been investigated by molecular dynamics simulation…”
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Effect of Al2O3 on Enrichment of Phosphorus in Hot Metal Dephosphorization Slag by Jiang, Lu, Diao, Jiang, Yan, Xiaoman, Xie, Bing, Ren, Yi, Zhang, Tao, Fan, Guozheng

“…The phosphorus enrichment behavior in dephosphorization slag was investigated by slag modification with Al2O3 in the present study. The mineral phase of the…”
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Research on parafoil optimal flight path planning algorithm for precise recovery of sub-stage booster of rocket by XING Xiaojun, HAN Yichen, FAN Guozheng, CHEN Mengping, LI Fenghao

“…Parafoil is an important novel method to realize the precise recovery of sub-stage booster of rocket. In this paper, a parafoil optimal path planning algorithm…”
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Computer Simulation of Anionic Structures of Molten CaO-SiO2-P2O5 System by Diao, Jiang, Fan, Guozheng, Liu, Xuan, Xie, Bing

“…Molecular dynamics simulations were carried out to investigate the anionic structures of the molten CaO-SiO 2 -P 2 O 5 system. The results show that the…”
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Interfacial Effects on the Band Edges of Ta3N5 Photoanodes in an Aqueous Environment: A Theoretical View by Fan, Guozheng, Fang, Tao, Wang, Xin, Zhu, Yaodong, Fu, Hongwei, Feng, Jianyong, Li, Zhaosheng, Zou, Zhigang

“…Ta3N5, as a fascinating photoanode for solar hydrogen production, is expected to split water without any bias, because its band edge potentials straddle H2O…”
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Three‐Dimensional Hierarchical Architectures Derived from Surface‐Mounted Metal–Organic Framework Membranes for Enhanced Electrocatalysis by Jia, Gan, Zhang, Wen, Fan, Guozheng, Li, Zhaosheng, Fu, Degang, Hao, Weichang, Yuan, Chunwei, Zou, Zhigang

“…Inspired by the rapid development of metal–organic‐framework‐derived materials in various applications, a facile synthetic strategy was developed for…”
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Modulation of Disordered Coordination Degree Based on Surface Defective Metal–Organic Framework Derivatives toward Boosting Oxygen Evolution Electrocatalysis by Zheng, Xinyue, Jia, Gan, Fan, Guozheng, Luo, Wenjun, Li, Zhaosheng, Zou, Zhigang

“…Seeking potential electrocatalysts with both large‐scale application and robust activity for the oxygen evolution reaction allows for no delay. Herein, a…”
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Synergetic stability enhancement with magnesium and calcium ion substitution for Ni/Mn-based P2-type sodium-ion battery cathodes by Fu, Hongwei, Wang, Yun-Peng, Fan, Guozheng, Guo, Shan, Xie, Xuesong, Cao, Xinxin, Lu, Bingan, Long, Mengqiu, Zhou, Jiang, Liang, Shuquan

“…The conventional P2-type cathode material Na 0.67 Ni 0.33 Mn 0.67 O 2 suffers from an irreversible P2-O2 phase transition and serious capacity fading during…”
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Interfacial Engineering of Hierarchical Transition Metal Oxide Heterostructures for Highly Sensitive Sensing of Hydrogen Peroxide by Zhang, Wen, Fan, Guozheng, Yi, Huan, Jia, Gan, Li, Zhaosheng, Yuan, Chunwei, Bai, Yunfei, Fu, Degang

“…Hydrogen peroxide (H2O2) is a major messenger molecule in cellular signal transduction. Direct detection of H2O2 in complex environments provides the…”
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Obtaining Electronic Properties of Molecules through Combining Density Functional Tight Binding with Machine Learning by Fan, Guozheng, McSloy, Adam, Aradi, Bálint, Yam, Chi-Yung, Frauenheim, Thomas

“…We have introduced a machine learning workflow that allows for optimizing electronic properties in the density functional tight binding method (DFTB). The…”
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Theoretical Insight into Charge-Recombination Center in Ta3N5 Photocatalyst: Interstitial Hydrogen by Wang, Xin, Huang, Huiting, Fan, Guozheng, Li, Zhaosheng, Zou, Zhigang

“…Ideal Ta3N5 is a promising candidate photocatalyst for solar water splitting. In a common synthetic route, both oxygen and hydrogen impurities are inevitably…”
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Machine Learning Enhanced DFTB Method for Periodic Systems: Learning from Electronic Density of States by Sun, Wenbo, Fan, Guozheng, van der Heide, Tammo, McSloy, Adam, Frauenheim, Thomas, Aradi, Bálint

“…Density functional tight binding (DFTB) is an approximate density functional based quantum chemical simulation method with low computational cost. In order to…”
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Facilitating Phase Evolution for a High-Energy-Efficiency, Low-Cost O3-Type Na x Cu 0.18 Fe 0.3 Mn 0.52 O 2 Sodium Ion Battery Cathode by Fu, Hongwei, Fan, Guozheng, Zhou, Jiang, Yu, Xinzhi, Xie, Xuesong, Wang, Jue, Lu, Bingan, Liang, Shuquan

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Theoretical Insight into Charge-Recombination Center in Ta 3 N 5 Photocatalyst: Interstitial Hydrogen by Wang, Xin, Huang, Huiting, Fan, Guozheng, Li, Zhaosheng, Zou, Zhigang

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Insight into the influence of high temperature annealing on the onset potential of Ti-doped hematite photoanodes for solar water splitting by Zhu, Yaodong, Qian, Qinfeng, Fan, Guozheng, Zhu, Zhili, Wang, Xin, Li, Zhaosheng, Zou, Zhigang

“…[Display omitted] The unfavorable onset potential shift of Ti:Fe2O3 photoanode induced by high temperature post-annealing was studied. The underlying mechanism…”
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Facilitating Phase Evolution for a High-Energy-Efficiency, Low-Cost O3-Type NaxCu0.18Fe0.3Mn0.52O2 Sodium Ion Battery Cathode by Fu, Hongwei, Fan, Guozheng, Zhou, Jiang, Yu, Xinzhi, Xie, Xuesong, Wang, Jue, Lu, Bingan, Liang, Shuquan

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