| Issue Date | Title | Author(s) | Relation | scopus | WOS | Fulltext/Archive link |
| 2022 | Catalytic Hydrogen Evolution Reaction on Surfaces of Metal-Nanoparticle-Coated Zinc-Based Oxides by First-Principles Calculations | W.-C. Tseng; C.-W. Chang; C.-C. Kaun ; Y.-H. Su | International Journal of Hydrogen Energy 47(96), 40768-40776 | | | |
| 2018 | Conductance Switching in Single-Peptide Molecules through Interferer Binding | L.-W. Huang; Y.-H. Su; C.-C. Kaun | ACS Omega 3(8), 9191-9195 | | | |
| 2020 | Decorating a WSe2 monolayer with Au nanoparticles: A study combined first-principles calculation with material genome approach | H.-W. Tsao; C.-C. Kaun ; Y.-H. Su | Surface and Coatings Technology 388, 125563 | | | |
| 2022 | Density Functional Theory Study of Hydrogen as Reducing Agent of Hematite (α-Fe2O3) in Ironmaking Process | Y.-J. Huang; C.-C. Kaun ; Y.-H. Su | Thin Solid Films 754, 139321 | | | |
| 2020 | Dion-Jacobson Phase Perovskite Ca2Nan-3NbnO3n+1 - (n = 4-6) Nanosheets as High-κ Photovoltaic Electrode Materials in a Solar Water-Splitting Cell | M. R. Aziza; C.-W. Chang; A. Mohapatra; C.-W. Chu; C.-C. Kaun ; Y.-H. Su | ACS Applied Nano Materials 3, 6367-6375 | | | |
| 2021 | Efficacious CO2 Photoconversion to C2 and C3 Hydrocarbons on Upright SnS-SnS2 Heterojunction Nanosheet Frameworks | C.-Y. Wu; C.-J. Lee; Y.-H. Yu; H.-W. Tsao; Y.-H. Su; C.-C. Kaun ; J.-S. Chen; J.-J. Wu | ACS Applied Materials & Interfaces 13(4), 4984-4992 | | | |
| 2021 | Hydrogen Evolution Driven by Photoexcited Entangled Skyrmion on Perovskite Ca2Nan-3NbnO3n+1 Nanosheet | M. R. Aziza; C.-W. Chang; C.-C. Kaun ; Y.-H. Su | The Journal of Physical Chemistry Letters 12(26), 6244-6251 | | | |
| 2020 | Interfacial effects on leakage currents in Cu/α-cristobalite/Cu junctions | K.-B. Lin; Y.-H. Su; C.-C. Kaun | Scientific Reports 10, 5303 | | | |
| 2022 | Machine-learning-aided DFT-1/2 calculations for bandgaps of zinc oxide thin films | W.-C. Tseng; C.-C. Kaun ; Y.-H. Su | Thin Solid Films 755, 139326 | | | |
| 2022 | Mg2Fe2O5 Nanoparticle-Decorated Ca2Fe2O5-CaFe2O4 Heterostructure for Efficient Photocatalytic CO2 Conversion | Y.-H. Chang; W.-C. Tseng; C.-C. Kaun ; Y.-H. Su; J.-J. Wu | ACS Sustainable Chemistry & Engineering 10(38), 12651-12658 | | | |
| 2023 | Platinum Nanoparticle Modulated Titania Electronic Structure Descriptors for Selective Photocatalytic CO2 Conversion | H.-C. Chang; C.-L. Chiang; Y.-G. Lin; W.-C. Tseng; C.-C. Kaun ; Y.-H. Su; J.-S. Chen; J.-J. Wu | Applied Surface Science 635, 157678 | | | |
| 2018 | Preparation of WS2 Nanosheets from Lithium Intercalation for Hydrogen Evolution | Y.-S. Chen; C.-W. Chang; K.-B. Lin; M.-H. Hon; C.-C. Kaun; Y.-H. Su | Advanced Materials Letters 9(2), 128-131 | | | |
| 2021 | Stepwise Evolution of Photocatalytic Spinel-Structured (Co,Cr,Fe,Mn,Ni)3O4 High Entropy Oxides from First-Principles Calculations to Machine Learning | C.-C. Lin; C.-W. Chang; C.-C. Kaun ; Y.-H. Su | Crystals 11(9), 1035 | | | |
| 2016 | The Electronic Structure of Organic-Inorganic Hybrid Perovskite Solar Cell: A First-Principles Analysis | Y.-Y. Pan; Y.-H. Su; C.-H. Hsu; L.-W. Huang; C.-C. Kaun | COMPUTATIONAL MATERIALS SCIENCE 117, 573–578 | | | |
