Anharmonicity induced faster decay of hot phonons in rutile TiO2 nanorods: a Raman spectromicroscopy study

Chanchal Rani, Devesh K. Pathak, Manushree Tanwar, Suchita Kandpal, Tanushree Ghosh, Maxim Yu. Maximov and Rajesh Kumar

Mater. Adv., 2022, 3, 1602
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Enhanced adsorption of oxygen species on c/h-In2O3 Z-scheme heterophase junctions for oxygen-mediated photocatalytic hydrogen production

Zhengxin Peng, Xiangbowen Du, Nan Lu, Jing Sui, Xiaofan Zhang, Renhong Li and Xiaoqing Yan

Catal. Sci. Technol., 2023, 13, 4400
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Review on Ti3C2 MXene-based binary and ternary composites for photocatalytic applications

Prathibha C P, Mallapur Srinivas and S. Girish Kumar

Inorg. Chem. Front., 2025, 12, 2138
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Synthesis of core/shell cobalt-doped rutile TiO2 nanorods for MB degradation under visible light

Lang Yang, Jialei Ying, Zhenzhong Liu, Guangyu He, Linli Xu, Mingyue Liu, Xinlei Xu, Guihua Chen and Meili Guan

RSC Adv., 2025, 15, 10144
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Origin of hydroxyl pair formation on reduced anatase TiO2(101)

Kræn C. Adamsen, Nikolay G. Petrik, Wilke Dononelli, Greg A. Kimmel, Tao Xu, Zheshen Li, Lutz Lammich, Bjørk Hammer, Jeppe V. Lauritsen and Stefan Wendt

Phys. Chem. Chem. Phys., 2023, 25, 13645
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Enhancing the near-infrared photocatalytic activity and upconversion luminescence of BiOCl:Yb3+–Er3+ nanosheets with polypyrrole in situ modification

Youzhun Fan, Tianhui Wang, Yingying Zhang, Qibing Li, Zhijie Wu, Zhaoyi Yin, Yongjin Li, Jin Han, Qi Wang, Jianbei Qiu, Zhengwen Yang and Zhiguo Song

J. Mater. Chem. C, 2021, 9, 15251
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Carbon quantum dot-sensitized hollow TiO2 spheres for high-performance visible light photocatalysis

Xianfeng Zhang, Zongqun Li, Shaowen Xu and Yaowen Ruan

New J. Chem., 2021, 45, 8693
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The need for robust model systems in the study of hybrid interfaces for photocatalysis and photoelectrocatalysis

Mekha P. Mohandas and Jared P. Bruce

Phys. Chem. Chem. Phys., 2025, 27, 4025
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Enhanced photodegradation of decabromodiphenyl ether on oxygen vacancy-enriched Bi2MoO6

Qin Li, Xueqing Jin, Meiying Yang, Qi Shen and Chunyan Sun

RSC Adv., 2022, 12, 14586
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Exploration of single Fe atom supported on anatase TiO2(001) for methane oxidation: A DFT study

Tianyi Wang, Haikun Liu, Ani Dong, Rosalie Hocking and Chenghua Sun

ChemPhysMater, 2023, 2, 90
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Tracking the Concentration of Surface-Reaching Photoexcited Holes in TiO2 Nanoparticles: Anatase versus Rutile

Cong Fu, Lingfang Liu, Xuelin Fan and Guofeng Zhao

J. Phys. Chem. C, 2023, 127, 22600
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Effect of water on formic acid and formaldehyde decomposition on the TiO2 (110) surface

He Zhou, Shasha Liu and Shiling Yuan

Chemical Physics, 2024, 586, 112378
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Role of Water in Methanol Photochemistry on TiO2 Nanocrystals: An In Situ DRIFTS Study

Cong Fu, Yunshang Zhang, Xiao Sun, Fei Fang and Weixin Huang

J. Phys. Chem. C, 2022, 126, 8615
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Oxidation State of Single-Atom Re/TiO2 Hydrogenation Catalysts: A Computational Study

A. Sreenithya, Alexander A. Kolganov, In Won Yeu, Muhammad Helmi Risansyauqi and Evgeny A. Pidko

ACS Catal., 2024, 14, 18488
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Activity and adsorption behavior of oxygen on rutile TiO2(110)

Rulin Sun, Xinlu Liu, Fangliang Li and Li Che

Chinese Journal of Chemical Physics, 2024, 37, 619
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One-Step Fabrication of Flower-Like ZnWO4/BiOBr Nanospheres with Enhanced Photocatalytic Degradation Efficiency

Hong-Jian Zhao, Zhe Yu, Ren-Jang Wu, Jing-Xia Mu and Fu Ma

NANO, 2022, 17
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Research Progress on Graphitic Carbon Nitride/Metal Oxide Composites: Synthesis and Photocatalytic Applications

Hao Lin, Yao Xiao, Aixia Geng, Huiting Bi, Xiao Xu, Xuelian Xu and Junjiang Zhu

IJMS, 2022, 23, 12979
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Engineering self-doped surface defects of anatase TiO2 nanosheets for enhanced photocatalytic efficiency

Yuanxu Liu, Mei Wang, Dan Li, Fei Fang and Weixin Huang

Applied Surface Science, 2021, 540, 148330
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Quantitative Spectroscopic Analysis of Surface-Reaching Photoexcited Holes in g-C3N4/TiO2 Z-Scheme Heterojunctions

Cong Fu, Lingfang Liu, Yu Wang, Yaxiong Wei, Weixin Huang and Guofeng Zhao

ACS Appl. Mater. Interfaces, 2024, 16, 57927
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Electric Field Assisted Femtosecond Laser Preparation of Au@TiO2 Composites with Controlled Morphology and Crystallinity for Photocatalytic Degradation

Xiaojie Li, Xin Li, Pei Zuo, Xiaozhe Chen, Misheng Liang and Le Ma

Materials, 2021, 14, 3816
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Multi-Theory Comparisons of Molecular Simulation Approaches to TiO2/H2O Interfacial Systems

Dáire O’Carroll and Niall J. English

Crystals, 2023, 13, 1122
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Cuprous oxide core-shell heterostructure facilely encapsulated by cadmium metal organic frameworks for enhanced photocatalytic hydrogen generation

Hu Zhu, Mengya Xi, Guopeng Huang, Lixia Qin, Taiyang Zhang, Shi-Zhao Kang and Li Xiangqing

Journal of Physics and Chemistry of Solids, 2023, 181, 111476
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In Situ IR Spectroscopy Unveils Defects-Induced Changes in the Concentration of Surface-Available Photoholes in TiO2 Nanoparticles

Cong Fu, Lingfang Liu, Cici Wang, Weixin Huang and Guofeng Zhao

J. Phys. Chem. C, 2024, 128, 11888
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Quantifying the surface-reaching charges in photocatalyst particles by adsorbate (methanol) surface elementary reaction kinetic analysis method: a review

Cong Fu and Weixin Huang

Surf. Sci. Technol., 2025, 3
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Modeling polarons in density functional theory: lessons learned from TiO2

Michele Reticcioli, Ulrike Diebold and Cesare Franchini

J. Phys.: Condens. Matter, 2022, 34, 204006
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Constructing Anatase–Brookite TiO2 Phase Junction by Thermal Topotactic Transition to Promote Charge Separation for Superior Photocatalytic H2 Generation

Peipei Du, Ping Niu, Yongqiang Yang, Ruotian Chen, Li-Chang Yin, Fengtao Fan and Gang Liu

J. Phys. Chem. Lett., 2022, 13, 4244
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A Quantitative Study on the Effect of Fe Doping on the Surface-Available Photohole Concentration in TiO2 Nanoparticles

Cong Fu, Lingfang Liu, Weixin Huang and Guofeng Zhao

J. Phys. Chem. C, 2024, 128, 6328
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Site Sensitivity of Interfacial Charge Transfer and Photocatalytic Efficiency in Photocatalysis: Methanol Oxidation on Anatase TiO2 Nanocrystals

Cong Fu, Fei Li, Jiachen Zhang, Dan Li, Kun Qian, Yong Liu, Junwang Tang, Fengtao Fan, Qun Zhang, Xue‐Qing Gong and Weixin Huang

Angewandte Chemie, 2021, 133, 6225
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Deciphering the Role of Hydrogen Bonding and Water Dynamics in Hole Transfer on Anatase TiO2(101): An ab Initio Quantum Dynamics Study

Xiaodan Yan, Xiao Han and Jinlu He

J. Phys. Chem. Lett., 2025, 16, 7744
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Reaction mechanisms and catalysis in the one-step synthesis of methylal via methanol oxidation

Meng Yuan, Mengru Dong, Zhiwei Tian, Yuanjun Che, Yuanyu Tian, Yingyun Qiao, Jinhong Zhang and Dawei Li

Journal of the Energy Institute, 2022, 103, 47
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Changes in the Relative Acidities of Organic Compounds upon Surface Interaction: A Computational Study on the Rutile TiO2(110) Surface

C. Rohmann, H. Idriss and M. A. Barteau

J. Phys. Chem. C, 2025, 129, 4059
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DFT study on TiO2 facet-dependent As(III) oxidation process: Importance of As(IV) species

Haoze Chen, Li Yan and Chuanyong Jing

Surface Science, 2023, 729, 122219
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A computational study of the interaction of oxygenates with the surface of rutile TiO2(110). Structural and electronic trends

C Rohmann and H Idriss

J. Phys.: Condens. Matter, 2022, 34, 154002
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Traces of Potassium Induce Restructuring of the Anatase TiO2(001)-(1×4) Surface from a Reactive to an Inert Structure

Cong Fu, Fei Li, Zongfang Wu, Feng Xiong, Junfa Zhu, Xue-Qing Gong and Weixin Huang

J. Phys. Chem. Lett., 2023, 14, 8916
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Site Sensitivity of Interfacial Charge Transfer and Photocatalytic Efficiency in Photocatalysis: Methanol Oxidation on Anatase TiO2 Nanocrystals

Cong Fu, Fei Li, Jiachen Zhang, Dan Li, Kun Qian, Yong Liu, Junwang Tang, Fengtao Fan, Qun Zhang, Xue‐Qing Gong and Weixin Huang

Angew Chem Int Ed, 2021, 60, 6160
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Synergistic Enhancement of Carrier Migration by SnO2/ZnO@GO Heterojunction for Rapid Degradation of RhB

Pengfei Chen, Jin Li, Jianing Wang and Lihan Deng

Molecules, 2024, 29, 854
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An Efficient Photocatalytic Material, rGO-TiO2, That Can Be Industrially Produced: Fabrication and Structural Characterization

Nan Xiong, Yansen Guo, Yanyan Nie, Yuqing Yao, Zhemian Ying, Wei Zhang, Renduo Liu, Xiaoling Wu, He Zhou, Limin Zhou, Ying Wang, Jian He and Long Yan

Water, 2025, 17, 161
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Hydrogen-Induced Reduction Improves the Photoelectrocatalytic Performance of Titania

Carlos Sánchez-Sánchez, Roberto Muñoz, Elena Alfonso-González, Mariam Barawi, José I. Martínez, Elena López-Elvira, Gabriel Sánchez-Santolino, Naoya Shibata, Yuichi Ikuhara, Gary J. Ellis, Mar García-Hernández, María Francisca López, Víctor A. de la Peña O’Shea and José A. Martín-Gago

ACS Appl. Energy Mater., 2024, 7, 2101
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Linking the Doping-Induced Trap States to the Concentration of Surface-Reaching Photoexcited Holes in Transition-Metal-Doped TiO2 Nanoparticles

Cong Fu, Lingfang Liu, Yaxiong Wei, Weixin Huang and Guofeng Zhao

J. Phys. Chem. Lett., 2024, 15, 6504
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Correlation between Defect and Lattice States on Modulated TiO2(110) during Redox Reaction

Young Jae Kim, Daeho Kim, Yongman Kim, Yongchan Jeong, Han-Koo Lee and Jeong Young Park

J. Phys. Chem. C, 2025, 129, 2028
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Effects of Valence Electron Layer Thickness of Metal Clusters on Electron–Hole Separation at the Metal/TiO2 Interface

Xiaodan Yan, Xiao Han and Jinlu He

J. Phys. Chem. C, 2024, 128, 19938
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Electron Probe Bridging Solid-State Chemistry and Surface Chemistry: Example of the TiO2-O2 System

Tadeusz Bak, Turgut M. Gür and Janusz Nowotny

ACS Appl. Energy Mater., 2023, 6, 865
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Research Progress in Semiconductor Materials with Application in the Photocatalytic Reduction of CO2

Yan Cui, Pengxiang Ge, Mindong Chen and Leilei Xu

Catalysts, 2022, 12, 372
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Synergistic effects of heterointerface and surface O vacancies in S-scheme BiO2-x/QL-COF heterojunction for efficient charge transfer: mechanism exploration and DFT calculations

Xi Wang, Zhaosheng Zhu, Qingrong Cheng and Zhiquan Pan

Journal of Photochemistry and Photobiology A: Chemistry, 2026, 472, 116715
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Spontaneous Bulk-Surface Charge Separation of TiO2-{001} Nanocrystals Leads to High Activity in Photocatalytic Methane Combustion

Cong Fu, Fei Li, Jianlong Yang, Jijia Xie, Yunshang Zhang, Xiao Sun, Xusheng Zheng, Yuanxu Liu, Junfa Zhu, Junwang Tang, Xue-Qing Gong and Weixin Huang

ACS Catal., 2022, 12, 6457
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Fabrication of flower spherical-like Z-scheme FeWO4/NiAl-LDH photocatalysts with excellent activity for CO2 photoreduction under visible light

Zhi-dong Lin, Rui-tang Guo, Ye Yuan, Xiang-yin Ji, Long-fei Hong and Wei-guo Pan

Applied Surface Science, 2021, 567, 150805
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X-ray-Induced CO2 Formation via CO Reaction with TiO2 at Cryogenic Temperature

Cong Fu, Hong Xu, Longxia Wu, Zhen Zhang and Weixin Huang

J. Phys. Chem. Lett., 2021, 12, 9741
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Chemical mechanism of formation of two-dimensional electron gas at the Al2O3/TiO2 interface by atomic layer deposition

Jeongwoo Park, Hyobin Eom, Seong Hwan Kim, Tae Jun Seok, Tae Joo Park, Sang Woon Lee and Bonggeun Shong

Materials Today Advances, 2021, 12, 100195
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Surface Reconstruction-Induced Photocatalytic Methanol Reduction Reaction on a Rutile TiO2(001) Surface

Longxia Wu, Zongfang Wu, Fei Li, Zhengming Wang, Zhen Zhang, Xue-Qing Gong and Weixin Huang

J. Phys. Chem. Lett., 2024, 15, 8481
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Insight into surface hydroxyl groups for environmental purification: characterizations, applications and advances

Xiao Xu, Haotian Liu, Jian Wang, Ting Chen, Xing Ding and Hao Chen

Surfaces and Interfaces, 2021, 25, 101272
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An Overview of Photocatalytic Membrane Degradation Development

Mojtaba Binazadeh, Jamal Rasouli, Samad Sabbaghi, Seyyed Mojtaba Mousavi, Seyyed Alireza Hashemi and Chin Wei Lai

Materials, 2023, 16, 3526
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Understanding the prototype catalyst TiO2 surface with the help of density functional theory calculation

Ruimin Wang, Binli Wang, Abubakar Sadiq Abdullahi and Hongjun Fan

WIREs Comput Mol Sci, 2024, 14
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High-Efficiency Photocatalytic Degradation of Tannic Acid Using TiO2 Heterojunction Catalysts

Ruixi Liu, Linzhen Wu, Hao Liu, Youkui Zhang, Jianjun Ma, Cairong Jiang and Tao Duan

ACS Omega, 2021, 6, 28538
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Water Reactions on Reconstructed Rutile TiO2: A Density Functional Theory/Density Functional Tight Binding Approach

Filippo Balzaretti, Verena Gupta, Lucio Colombi Ciacchi, Bálint Aradi, Thomas Frauenheim and Susan Köppen

J. Phys. Chem. C, 2021, 125, 13234
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The Evolution of Photocatalytic Membrane Reactors over the Last 20 Years: A State of the Art Perspective

Raffaele Molinari, Cristina Lavorato and Pietro Argurio

Catalysts, 2021, 11, 775
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Surface and Interface Reactivity of Au Nanoparticles Supported on Rutile-TiO2(110) toward H2O, O2, CO, and CO2

Zongfang Wu, Haocheng Wang, Junjie Shi, Zichen Li and Weixin Huang

J. Phys. Chem. C, 2024, 128, 21702
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Reactivity of hydrogen species on oxide surfaces

Zhaorui Li and Weixin Huang

Sci. China Chem., 2021, 64, 1076
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TiO2 Facet-dependent reconstruction and photocatalysis of CuOx/TiO2 photocatalysts in CO2 photoreduction

Fei Fang, Yuanxu Liu, Xiao Sun, Cong Fu, Yagna Prakash Bhoi, Wei Xiong and Weixin Huang

Applied Surface Science, 2021, 564, 150407
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Uniform Catalytic Nanocrystals: From Model Catalysts to Efficient Catalysts

Weixin Huang

Acc. Mater. Res., 2023, 4, 373
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Synergy of Bulk Defects and Surface Defects on TiO2 for Highly Efficient Photocatalytic Production of H2O2

Cong Fu, Lingfang Liu, Zhaorui Li, Yaxiong Wei, Weixin Huang and Xiaojun Zhang

J. Phys. Chem. Lett., 2023, 14, 7690
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Effects of surface defects on adsorption of CO and methyl groups on rutile TiO2(110)

Deng-fang Tang, Xiao Chen, Qing Guo and Wen-shao Yang

Chinese Journal of Chemical Physics, 2021, 34, 249
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