Member

Academic Year	Students / Topic
2009	Siao, Yu-Jin / Ab Initio Study of Preferred Growth for Epitaxial ZnO Thin Film
2009	Wang, Chih-Hao / First-Principles Molecular Dynamics Studies of the Mechanisms and Characteristics of Hydrogen Storage in Carbon Nanomaterials
2009	Hong, Yong-An / First Principle Study of Band Structures and Optical Properties in Ge_1-xSnx Semiconductor Alloy
2010	Wu, Yen-Ting / Ab initio Study of the Hydrogen and Ammonia Molecule on ZnO Surfaces
2010	Chang, Hsiao-Wei / Ab-initio Methods for Quantum Calculations on Surface Energies
2010	Shao, Peng-Tsang / First-Principles Study of Optoelectronic Properties and Epitaxial Morphology of ZnO-based Semiconductor Alloy Films
2010	Chen, Chien-Shun / The Effect of Hydrogen and Ammonia Molecule on β-Ga₂O₃ Surface: A First-principles Study
2011	Hsiao, Yu-Tsen / Ab-initio Study of Elastic Properties and Copper Diffusion in (AlCrTiZr)N High-Entropy Alloys
2011	Liao, Kuo-Cheng / Ab-initio Study of GaN(0001)/Gd₂O₃(0001) and GaN(0001)/Sc₂O₃(111) Heterostructures
2011	Chou, Yen-Ting / Ab-initio Study of GaN(1-100)/LiAlO₂(100) and GaN(1-100)/LiGaO₂(100)Heterostructures
2011	Hong, Jia-Yang / Double-shell C60@C240 Fullerenes with Defects for Hydrogen Storage: An Ab-initio Study
2011	Chu, Yi-Min / First-Principles Studies of GaN/Ga₂O₃Heterointerfaces and Pourbaix Diagrams for Ga₂O₃
2012	Chen, Yen-Wei / First-Principles Studies of Er₂O₃(110) / Si(001) Heterostructures
2012	Wang, Huan-Chen / Ab-initio Study of the Ammonia Molecules on GaN(0001) and GaN(000-1) Surfaces
2012	Chan, Chun-Hsiang / Double-walled Carbon Nanotube(6,6)/(11,11) with Defects for Hydrogen Storage: First-princles Calculation
2012	Lin, Bang-Wun / Ab-initio Study on Cr²⁺_0.25Zn_0.75Te, V²⁺_0.25Zn_0.75Te, and Mn²⁺_0.25Zn_0.75Te Femtosecond Laser and its Electro-Optical Characteristics
2012	Lin, Chung-Hsin / Ab-initio Study of Gd₂O₃ Heteroepitaxy on Si
2012	Tsai, Yen-Chiao / Ab-initio Study on α-Al₂O₃(001) Surface Energy
2012	Lin, Hsiang-yuan / Ab-initio Study of Dislocation Network in Silicon
2013	Yang, Wen-Han / Ab-initio Study of GaN(0001)/TiN(111) Heterostructures
2013	Shiu, Yu-Wei / Ab-initio Study on TM_xZn_1-xS (TM= Ti, Cr²⁺, Mn²⁺, Fe²⁺, Co²⁺, and Ni²⁺, x = 0.03, 0.25) Femtosecond Laser and its Electro-Optical Characteristics
2013	Lin, Chih-Yu / Caron Nanotorus C₃₆₀ and C₄₂₀ with Defects for Hydrogen Storage: An Ab-initio Study
2013	Lin, Cheng Hung / Ab-initio Study on TM_xCd_1-xS (TM= Ti²⁺, Cr²⁺, Mn²⁺, Fe²⁺, Co²⁺ and Ni²⁺, x=0.03, 0.25) Femtosecond Laser and its Electro-Optical Characteristics
2013	Chang, Pai-Ching / Ab-initio Study on TM_xZn_1-xSe (TM= Ti²⁺, Cr²⁺, Mn²⁺, Fe²⁺, Co²⁺ and Ni²⁺, x=0.03, 0.25) Femtosecond Laser and its Electro-Optical Characteristics
2013	Hsu, Yu-Chieh / Double-walled Boron Nitride Nanotube(6,6)/(11,11) with Defects for Hydrogen Storage:An Ab-initio Study
2013	Yeh, Shih-Cheng / Double-shell Fullerenes B₂₄N₃₆@B113N127 with Defects for Hydrogen Storage: An Ab-initio Study
2013	Yang, Chia-Ming / Simulated Analysis in Ball’s Trajectory of External Circalation Ball Screw
2014	Chen, Shao-min / Mechanical Properties of Superhard Alloys of Boron-Carbon-Nitride Compounds: The Ab initio Study
2014	Wu, Yan-Ru / Ab-initio Studies of the Magnetic Properties of CoO/Co Interfaces
2014	Yang, Ching-Hsu / Ab-initio Study of the Chromium(II) Chloride Molecules on 3c-ZnS(111) and 2h-ZnS(0001) Surfaces
2014	Wang, Yu-Hsien / Ab-initio Study of ZnS/CaF₂(111) Heterostructures
2015	Fu, Chih-Yung / Ab-initio Study of Interface Energy of GaN(0001)/Graphene/Si(111) Heterostructures
2015	Lei, Wen-Teng / Mechanical Properties of Boron Carbon Nitride Compounds with Si₃N^4-like Structure: The Ab initio Study
2015	Wu, Yu-Heng / Ab-initio Studies of the Magnetic Properties of Mn/Ni_0.81Fe_0.19 Interfaces
2016	Shi, Jhan-Wei / Ab-initio Study of the CHx (x = 1-3) Molecules on β-SiC(111) Surfaces for Diamond Growth
2016	Su, Wei-Zhong / Ab-initio Study of Diamond/β-SiC Heterostructure for Cutting Tools
2016	Yang, Yi-Ke / Ab-initio Study of Triazole as Copper Corrosion Inhibitors in Chemical Mechanical Planarization
2016	Chien, Cheng-Yu / Ab-initio Study of Texture Transformation in Ag and Cu Thin Films
2016	Juang, Tzu-Kuang / Ab-initio Study of Strain-Induced ZnGa₂O₄/Al₂O₃ Heterojunctions and Film Structures
2016	Hsu, Ting-Yen / Mechanical Properties of Boron Carbon Nitride Compounds with Lonsdaleite-like Structure: The Ab initio Study
2016	Lin, I-Hsin / Mechanical Properties of Boron Carbon Nitride Compounds with bc8 Structure: The Ab initio Study
2016	Chen, Ying-Hao / Ab initio Study of Copper Corrosion Inhibitors on Cu₂O(111) Surfaces for Chemical Mechanical Planarization
2017	Li, Tsung-Che / Ab initio Study of the Effect of Nitrogen on Diamond Film Growth
2017	Chiang, Yi-Hung / Ab initio Study of Work Function Change Induced by NO₂ and H₂S Molecules on ZnGa₂O₄(111) Surfaces for Gas Sensors
2017	Hsieh, Yu-Hsuan / Ab initio study of topological insulator of perovskite CsPbBr₃ and CsPbI₃
2018	Wang, Ding-Yuan / Work Function Changes of NO₂ and H₂S on Pd-doped ZnGa₂O₄(111) Surfaces: First-Principles Studies
2018	Xie-Su, Jian-Sheng / Ab Initio Study for Ga₂O₃, and ZnGa₂O₄
2018	Chang, Yen-Cheng / Ab Initio Study of Atomic Structures of Cu₂SnTi₃ Ternary Compounds
2018	Shih, Po-Chun / Ab Initio Study of WTe₂ Band Structures with Vertical Electric Field Applied in MOSFETs
2018	Hong, Yu-Sheng / Ab-initio study of topological insulator of alkaline-earth compounds SrSn₂ and BaGe₂
2018	Pai, Che-An / Ab Initio Studies of Work Function Changes of CO Adsorption on Clean and Pd-doped ZnGa₂O₄(111) Surface for Gas Sensors
2019	Wu, Yu-Hsuan / Using Material Gene of Machine Learning to Predict Interface for Heterostructures
2019	Teseng, Yen-Jui / Ab Initio Study of Electronic Structures and Defect Formation Energy of Sb Doped ZnO
2019	Wu, Bo-En / First-principles Calculation to Study the Anomalous Hall Effect of Co_3-xCr_xAl (x = 0, 1, 2, 3) Heusler Compounds
2019	Wang, Wei-Cheng / Structural and Energetic Properties of Flexible Muscovite Substrates: A First-Principles Density Functional Theory Study
2019	Chang, Hsun / Pulsed laser deposition of ZnGa₂O₄ thin films for deep-UV detector application
2019	Tsai, Min-Hsun / Ab initio Studies of Work function Changes of CO₂ Adsorption on Clean and Pd-doped ZnGa₂O₄(111) Surface for Gas Sensors
2020	Fu, Jine-Du / Ab Initio Study of Electronic Structures and Defect Formation Energy of Al-Doped ZnGa₂O₄
2020	Hung, Dun-Ru / Ab initio Studies of Work Function Changes of O₃ Adsorption on ZnGa₂O₄(111) Surface for Gas Sensors
2020	Chen, Yu-Hsuan / First-Principles Study on Growth and Analysis of ε-Ga₂O₃and κ-Ga₂O₃ Thin Films
2021	Shao,Jhin-Hong/ Ab Initio Studies of Work Function Changes of NO Adsorption on ZnGa₂O₄(111) Surface for Gas Sensors
2021	Chen,Yi-Che/ Prediction and Analysis for Vacuum Energy of NO, NO₂, CO, CO₂, H₂S, and O₃ Gas Molecules Adsorbed on the ZnGa₂O₄(111) Surface Model with Deep Learning
2021	Tang, Yi-Cheng / Ab initio studies of epitaxial growth characteristics and surfaces energy of SnO₂(100) and NiO(111)
2021	Dai, Jia-Wei / Materials Genomics and Automated Workflow for Prediction and Construction of Heterojunctions Database
2021	Lin,Yu-Cheng/Ab initio Studies of Work Function Changes of H₂O Adsorption on ZnGa₂O₄(111) Surface and Construction of Sensor Open Database for Gas Sensors
2021	Lin,Ying-Hsiang/ Study on the mechanical properties of binary and ternary titanium and chromium nitrides enhanced by pulsed bias in HiPIMS process
2021	Tseng,Yung-Yi/ Rare earth-based RXVZ Heusler compounds as a pure spin-polarized current source: an ab-intiio theoretical study (R = Yb,Lu; X = Fe,Co,Ni;Z = Si,Ge,Sn)
2021	Chang, Kai-Chun/ A First-Principles Theoretical Study of the Electronic, Magnetic, and Mechanical Properties of the Rare Earth-Based RXMnZ (R = Lu, Yb; X = Fe, Co, Ni; Z = Si, Ge, Sn) Quaternary Heusler Alloys
2021	Chen, Kuan-Ming / RXCrZ(R = Lu, Yb; X = Fe, Co, Ni; Z = Si, Ge, Sn)Searching for Magnetic Materials in Rare Earth-based Quaternary Heusler Alloys Using First-principles Theoretical Calculations: A Case Study of RXCrZ (R = Lu, Yb; X = Fe, Co, Ni;
2021	Yang, Cheng-Yeh /
2021	Wang, Yu-Xiang /
2021	Lu, Chia-Che / Ab initio Studies of Work function Changes of CO Adsorption on ZnGa₂O₄(111) Surface for Gas Sensors in Humid Environment
2021	Chu, Chen-Wei / Ab initio Studies of Work Function Changes and Adsorption Energy of H₂S Adsorption on ZnGa₂O₄(111) Surface for Gas Sensors
2021	Syu, Hsien-Jui /
2021	Hsiao, Chun /
2022	Su, Guang-Cheng /
2022	Jhang, Sheng-Yuan /
2022	Hsieh, Hsiang-Yu /
2022	Chen, Yen Ru /
2022	Lin, Yen-Cheng /
2022	Shen, Jun-Hong /
2022	Li, Jun-Shins /
2022	Tsai, Yi-Ting /
2022	Lin, Ze-Bin /
2022	Chen, Matt /
2022	Cheang, Chin-Cheng /
2023	Hsieh, Ping-Jui /
2023	Chyou, Jun-Kai /
2023	Chen, Guan-Yu /
2023	Hsu, Yu-Chin /
2023	Wang, Tzu-Wei /
2023	Liu, Tzu-Wei /
2023	Wu, Tung-Han /
2023	Lo, Shiang-jiun /
2023	Liu, Yu-Cheng /
2023	Xu, Ming-Wang /
2023	Yu, Chun-Hsien /
2023	Chang, Yi-Peng /

Lab Highlight

Computational materials science research group

2024