成果/Result
- Metallic Contact between MoS2 and Ni via Au Nanoglue被引量：36收藏
- 作者：Shi, Xinying Posysaev, Sergei Huttula, Marko Pankratov, Vladimir Hoszowska, Joanna Dousse, Jean-Claude Zeeshan, Faisal Niu, Yuran Zakharov, Alexei Li, Taohai Miroshnichenko, Olga Zhang, Meng Wang, Xiao Huang, Zhongjia Saukko, Sami Gonzalez, Diego Lopez van Dijken, Sebastiaan Alatalo, Matti Cao, Wei
- 机构：Univ Oulu;Univ Fribourg;Lund Univ;Xiangtan Univ;East China Univ Sci & Technol
- 来源：SMALL 2018
- 关键词：first-principles calculations inorganic layered crystals metal-semiconductor contact synchrotron radiation
- Strain enhanced lithium adsorption and diffusion on silicene被引量：36收藏
- 作者：Wang, Xiao Luo, Youhua Yan, Ting Cao, Wei Zhang, Meng
- 机构：East China Univ Sci & Technol;Wuhan Museum Sci & Technol;Nano & Mol Syst Res Unit
- 来源：PHYSICAL CHEMISTRY CHEMICAL PHYSICS 2017
- First-principles study of half-fluorinated silicene sheets被引量：28收藏
- 作者：Wang, Xiao Liu, Huangzhong Tu, Shan-Tung
- 机构：E China Univ Sci & Technol;PLA Mil Econ Acad;E China Univ Sci & Technol
- 来源：RSC ADVANCES 2015
- 关键词：Crystal atomic structure - Antiferromagnetism - Boats - Calculations - Ferromagnetism - Silicene
- Transition Metal Adsorbed- Doped ZnO Monolayer: 2D Dilute Magnetic Semiconductor, Magnetic Mechanism, and Beyond 2D被引量：27收藏
- 作者：Zhang, Meng Shi, Xinying Wang, Xiao Li, Taohai Huttula, Marko Luo, Youhua Cao, Wei
- 机构：East China Univ Sci & Technol;Univ Oulu;Xiangtan Univ
- 来源：ACS OMEGA 2017
- Study of formaldehyde adsorption on silicene with point defects by DFT method被引量：24收藏
- 作者：Wang, Xiao Liu, Huazhong Tu, Shan-Tung
- 机构：E China Univ Sci & Technol;PLA Mil Econ Acad;E China Univ Sci & Technol
- 来源：RSC ADVANCES 2015
- 关键词：Density functional theory - Formaldehyde - Point defects - Molecules - Adsorption
- Quantitative assessment of structural and compositional colors induced by femtosecond laser: A case study on 301LN stainless steel surface被引量：22收藏
- 作者：Shi, Xinying Huang, Zhongjia Laakso, Miku J. Niklaus, Frank Sliz, Rafal Fabritius, Tapio Somani, Mahesh Nyo, Tun Wang, Xiao Zhang, Meng Wang, Gang Komi, Jukka Huttula, Marko Cao, Wei
- 机构：Jiangsu Normal Univ;Univ Oulu;Anhui Polytech Univ;KTH Royal Inst Technol;Univ Oulu
- 来源：APPLIED SURFACE SCIENCE 2019
- 关键词：Laser coloration Structural color Compositional color Femtosecond laser marking
- Magnetic MoS2 pizzas and sandwiches with Mnn (n=1-4) cluster toppings and fillings: A first-principles investigation被引量：20收藏
- 作者：Zhang, Meng Huang, Zhongjia Wang, Xiao Zhang, Hongyu Li, Taohai Wu, Zhaolong Luo, Youhua Cao, Wei
- 机构：E China Univ Sci & Technol;Anhui Polytech Univ;Xiangtan Univ;Univ Oulu
- 来源：SCIENTIFIC REPORTS 2016
- A direct Z-scheme BS/PtO2 van der Waals heterojunction for enhanced visible-light photocatalytic water splitting: a first-principles study被引量：20收藏
- 作者：Zhou, Bowei Zhu, ZiTao Sun, Zhengdong Zhang, Meng Wang, Xiao
- 机构：East China Univ Sci & Technol
- 来源：PHYSICAL CHEMISTRY CHEMICAL PHYSICS 2024
- 关键词：Light absorption - Photocatalytic activity - Redox reactions - Solar energy - Solar energy conversion - Van der Waals forces
- First-principles studies of lithium adsorption and diffusion on silicene with grain boundaries被引量：19收藏
- 作者：Wang, Xiao Liu, Huazhong Huttula, Marko Luo, Youhua Zhang, Meng Cao, Wei
- 机构：East China Univ Sci & Technol;Wuhan Donghu Univ;Univ Oulu
- 来源：INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 2019
- 关键词：first-principles simulations grain boundary lithium adsorption and diffusion silicene
- CeO2 quantum dots for highly selective and ultrasensitive fluorescence detection of 4-nitrophenol via the fluorescence resonance energy transfer mechanism被引量：18收藏
- 作者：Xu, Hongqiang Wang, Hailong Lu, Yixia Zeng, Yanbo Yang, Yiwen Zhang, Zulei Wang, Hongmei Wang, Xiao Li, Lei
- 机构：Jiaxing Univ;East China Univ Sci & Technol
- 来源：SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY 2021
- 关键词：CeO2 Quantum dots Fluorescent detection 4-Nitrophenol FRET
- Introducing Magnetism into 2D Nonmagnetic Inorganic Layered Crystals: A Brief Review from First-Principles Aspects被引量：15收藏
- 作者：Shi, Xinying Huang, Zhongjia Huttula, Marko Li, Taohai Li, Suya Wang, Xiao Luo, Youhua Zhang, Meng Cao, Wei
- 机构：Univ Oulu;Anhui Polytech Univ;Xiangtan Univ;East China Univ Sci & Technol
- 来源：CRYSTALS 2018
- 关键词：two-dimensional inorganic layered crystals magnetism first-principles calculation
- Nickel nanoparticle-activated MoS2 for efficient visible light photocatalytic hydrogen evolution被引量：15收藏
- 作者：Shi, Xinying Zhang, Meng Wang, Xiao Kistanov, Andrey A. Li, Taohai Cao, Wei Huttula, Marko
- 机构：Univ Oulu;Jiangsu Normal Univ;East China Univ Sci & Technol;Xiangtan Univ
- 来源：NANOSCALE 2022
- 关键词：Additives - Calculations - Catalyst activity - Dangling bonds - Hydrogen production - Layered semiconductors - Light - Light sources - Nickel alloys - Photocatalytic activity - Sulfur compounds
- Pulsed Laser Deposition Assisted van der Waals Epitaxial Large Area Quasi-2D ZnO Single-Crystal Plates on Fluorophlogopite Mica被引量：15收藏
- 作者：Li, Borui Ding, Longwei Gui, Pengbin Liu, Nishuang Yue, Yang Chen, Zhao Song, Zengcai Wen, Jian Lei, Hongwei Zhu, Ziqiang Wang, Xiao Su, Meng Liao, Lei Goo, Yihua Zhang, Dong Fang, Guojia
- 机构：Wuhan Univ;Huazhong Univ Sci & Technol;East China Univ Sci & Technol
- 来源：ADVANCED MATERIALS INTERFACES 2019
- 关键词：pulsed laser deposition quasi-2D van der Waals epitaxy ZnO single-crystal plate
- Fabrication of CoS/CdS heterojunctions for enhanced photocatalytic hydrogen production被引量：14收藏
- 作者：Shen, Luping Cheng, Jiajun Wang, Xiao Wang, Hongmei Lu, Zhufeng Guo, Liping Ma, Hongxia Li, Lei Wen, Herui
- 机构：Jiangxi Univ Sci & Technol;Jiaxing Univ;East China Univ Sci & Technol
- 来源：INORGANICA CHIMICA ACTA 2022
- 关键词：CdS/CoS Hydrogen evolution Photocatalysis DFT
- The synthesis of Cu/plate-like ZnO nanostructures and their self-assembly mechanism被引量：12收藏
- 作者：Wang, Hongmei Lu, Zhufeng Lu, Dingze Li, Chunhe Fang, Pengfei Wang, Xiao
- 机构：Jiaxing Univ;Wuhan Univ;E China Univ Sci & Technol
- 来源：SOLID STATE SCIENCES 2016
- 关键词：Cu/ZnO nanocomposites Decomposition/self-reduction mechanism Self-assembly Metal oleates
- Structures of Nanoalloy Clusters AunAln (n=1-10) and the Growth Patterns to the Bulk Phase被引量：11收藏
- 作者：Wang, Xiao Adeleke, Adebayo A. Cao, Wei Luo, Youhua Zhang, Meng Yao, Yansun
- 机构：East China Univ Sci & Technol;Univ Saskatchewan;Univ Oulu;Canadian Light Source
- 来源：JOURNAL OF PHYSICAL CHEMISTRY C 2016
- 关键词：Binary alloys - Aluminum alloys - Degrees of freedom (mechanics) - Global optimization - Binding energy - Nanoclusters - Crystalline materials - Electron affinity
- Experimental and theoretical studies on charge transfer complex formed by TCTA and TPBi被引量：9收藏
- 作者：Chen, Zhehao Lu, Zhaoyue Pan, Junpeng Tang, Zongkai Wang, Xiao
- 机构：East China Univ Sci & Technol;East China Normal Univ
- 来源：JOURNAL OF LUMINESCENCE 2024
- 关键词：Charge transfer Density functional theory Exciplex Electroplex
- Asymmetrical carbazole-b enzonitrile-base d TADF emitters designe d by alternate donor-acceptor strategy被引量：8收藏
- 作者：Lu, Zhaoyue Chai, Tiantian Jin, Yichao Wang, Xiao Zou, Ye Zhang, Lijiang Feng, Jiankang Zhang, Mengtong Wang, Shuo Lu, Chichong Jin, Guofan
- 机构：Jiangsu Univ;East China Univ Sci & Technol;Chinese Acad Sci;Beijing Technol & Business Univ
- 来源：CHINESE CHEMICAL LETTERS 2025
- 关键词：Delayed fluorescence Linear D-A-D structure Localized excited state Delocalized charge transfer state Spin-orbital coupling
- Theoretical insights into long-range coupling of electron-hole pairs in TCTA -PO-T2T exciplex被引量：7收藏
- 作者：Jin, Yichao Lu, Zhaoyue Wang, Xiao Tang, Zongkai Mu, Haichuan
- 机构：East China Univ Sci & Technol
- 来源：ORGANIC ELECTRONICS 2024
- 关键词：Exciplex Intermolecular charge transfer Charge transfer index D -A distance Excited states
- The study of electronic and optical properties of ZnO/MoS2 and its vacancy heterostructures by first principles被引量：6收藏
- 作者：Wang, Xiao Zhang, Hongyu Yu, Wen
- 机构：East China Univ Sci & Technol;WenHua Coll;East China Univ Sci & Technol;Wenhua Coll
- 来源：INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 2024
- 关键词：absorption capability electronic structure first principles optical property vacancy engineering ZnO/MoS2 heterostructure
- A symmetrical carbazole/benzonitrile-based high triplet energy bipolar host designed by a para-linkage strategy for efficient blue and green phosphorescent organic light-emitting diodes被引量：5收藏
- 作者：Lu, Zhaoyue Liu, Ying Jin, Yichao Zhang, Lijiang Wang, Xiao Lu, Chichong Jin, Guofan
- 机构：East China Univ Sci & Technol;Jiangsu Univ;Beijing Technol & Business Univ
- 来源：JOURNAL OF LUMINESCENCE 2023
- 关键词：High triplet energy Carbazole derivative Cyano group Bipolar PhOLED
- Strain effect on band structure and surface reactivity of ZnO monolayer被引量：4收藏
- 作者：Yu, Wen Wang, Xiao
- 机构：Wenhua Coll;East China Univ Sci & Technol
- 来源：EUROPEAN PHYSICAL JOURNAL B 2023
- 关键词：Atoms - Band structure - Catalyst activity - II-VI semiconductors - Monolayers - Tensile strain - Zinc
- Growth Patterns of Carbon Clusters C n (n=2-60) Identified via ABCluster Searching and DFT Benchmarking被引量：4收藏
- 作者：Jia, Liting Wang, Yu Tian, Xu Wang, Siyu Wang, Xiao Zhang, Meng
- 机构：East China Univ Sci & Technol
- 来源：JOURNAL OF PHYSICAL CHEMISTRY A 2024
- 关键词：Clustering algorithms
- Strain-engineered Ga2SSe/SnS2 van der Waals heterojunction as an efficient S-scheme photocatalyst for solar water splitting被引量：3收藏
- 作者：Zhu, Junhao Sun, Zhengdong Ma, Jiaxin Shen, Yifei Wang, Xiao Zhang, Meng
- 机构：East China Univ Sci & Technol
- 来源：SURFACES AND INTERFACES 2025
- 关键词：S-scheme heterojunction Solar water splitting Strain engineering First-principles calculations
- Rational understanding of solvent effects on 4CzPN thermally activated delayed fluorescence emitter被引量：3收藏
- 作者：Yan, Shujie Lu, Zhaoyue Chen, Zhehao Wang, Xiao Xiao, Jing
- 机构：East China Univ Sci & Technol;Taishan Univ
- 来源：JOURNAL OF LUMINESCENCE 2025
- 关键词：Solvatochromism Redshift Stokes shift Geometrical deformation Reorganization energy
- Theoretical investigation of an arsenene/g-C6N6 van der Waals heterojunction: a direct Z-scheme system with high photocatalytic efficiency被引量：3收藏
- 作者：Sun, Zhengdong Ma, Jiaxin Zhu, Junhao Shen, Yifei Wang, Xiao Zhang, Meng Zhen, Kaiyi
- 机构：East China Univ Sci & Technol;Jiangsu Univ
- 来源：PHYSICAL CHEMISTRY CHEMICAL PHYSICS 2025
- 关键词：Cell proliferation - Hard coatings - Hydrogen evolution reaction - Lattice mismatch - Layered semiconductors - Light absorption - Liquid crystals - Photocatalytic activity - Protective coatings - Wide band gap semiconductors
- Tuning the Electronic Structure of ZnO Bilayer: A First-Principles Study被引量：2收藏
- 作者：Yu, Wen Wang, Xiao Li, Chuanguo
- 机构：Wenhua Coll;East China Univ Sci & Technol
- 来源：JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY 2019
- 关键词：ZnO 2D Nanomaterial Interlayer First-Principles
- Theoretical investigation of 2D/2D van der Waals SbPO4/BiOClxBr1-x heterojunctions for photocatalytic water splitting被引量：2收藏
- 作者：Zhu, Zi Tao Zhou, Bo Wei Sun, Zheng Dong Ma, Jia Xin Wang, Xiao Zhang, Meng
- 机构：East China Univ Sci & Technol
- 来源：PHYSICAL CHEMISTRY CHEMICAL PHYSICS 2024
- 关键词：Bismuth compounds - Bromine compounds - Chlorine compounds - Density functional theory - Redox reactions - Van der Waals forces
- Excited-state properties of TCTA:PO-T2T exciplex in solvents investigated by density function theory and transient absorption spectroscopy被引量：1收藏
- 作者：Yan, Shujie Lu, Zhaoyue Chen, Zhehao Wang, Xiao
- 机构：East China Univ Sci & Technol
- 来源：APPLIED PHYSICS LETTERS 2025
- 关键词：Binding energy - Blue shift - Density functional theory - Electronic structure - Excited states - Polonium alloys - Quantum chemistry - Quantum theory - Solvents - Transient absorption spectroscopy
- Construction of bimetallic sulfide/carbon nitride nanocomposites for photocatalytic hydrogen evolution from simulated or natural seawater被引量：1收藏
- 作者：Xiao, Qiaoyi Fan, Yaoyao Zhou, Li Gu, Qiqi Yan, Feifei Lian, Yuan Wang, Hongmei Yi, Jie Cao, Miao Wang, Xiao
- 机构：Jiaxing Univ;Jiaxing Univ;East China Univ Sci & Technol
- 来源：JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY 2026
- 关键词：Carbon nitride S-scheme heterojunction Seawater splitting for hydrogen evolution DFT
