1. Ray-Hua Horng*, Po-Hsiang Cho, Jui-Che Chang, Anoop Kumar Singh, Sheng-Yuan Jhang, Po-Liang Liu, Dong-Sing Wuu, Samiran Bairagi, Cheng-Hsu Chen, Kenneth Järrendahl, and Ching-Lien Hsiao*, “Growth and Characterization of Sputtered InAlN Nanorods on Sapphire Substrates for Acetone Gas Sensing,” Nanomaterials, vol.14, pp.26, 01 2024. (SCI)
2. Po-Jung Lin, Jia-Zhe Liu, Hong-Che Lin, Zhi-Yuan Zhuang, Wen Ching Hsu, Yi-Che Chen, Po-Liang Liu, and Ray Hua Horng*, “Suppression of p-type parasitic channel formation at the interface between the aluminum nitride nucleation layer and the high-resistivity silicon substrate,” Surfaces and Interfaces, vol.36, pp.102590, 01 2023. (SCI)
3. Pao-Wen Shao, Yi-Xian Wu, Wei-Han Chen, Mojue Zhang, Minyi Dai, Yen-Chien Kuo, Shang-Hsien Hsieh, Yi-Cheng Tang, Po-Liang Liu, Pu Yu, Yuang Chen, Rong Huang, Chia-Hao Chen, Ju-Hung Hsu, Yi-Chun Chen, Jia-Mian Hu, and Ying-Hao Chu*, “Bicontinuous Oxide Heteroepitaxy with Enhanced Photoconductivity,” Nature Communications, vol.14, pp.21, 01 2023. (SCI)
4. Jia-Wei Chen, Yun-Guan Wei, Hung-Yang Lo, Si-Cheng Lu, Yi-Che Chen, Chi-Feng Lei, Po-Liang Liu, Pu Yu, Nien-Ti Tsou, Akira Yasuhara, Wen-Wei Wu*, and Ying-Hao Chu*, “Giant Actuated Van Der Waals Metal/Muscovite Heteroepitaxy,” Social Science Research Network, Available at SSRN, 02 2023. (SCI)
5. Siddharth Rana, Shang-Jui Chiu, Chih-Yang Huang, Fu-Gow Tairtan, Yan-Gu Lin, Dong-Sing Wuu, Jitendra Pratap Singh, Guang-Cheng Su, Po-Liang Liu, and Ray-Hua Horng*, “Direct hard X-ray photodetector with superior sensitivity based on ZnGa2O4 epilayer grown by metalorganic chemical vapor deposition,” Materials Today Advances, vol.19, pp.100411, 07 2023. (SCI)
6. Ting-Yu Chang, Anoop Kumar Singh, Jhih-Hong Shao, Chiung-Yi Huang, Jia-Min Shieh, Dong-Sing Wuu, Po-Liang Liu, and Hua Horng*, “Performance improvement of MOCVD grown ZnGa2O4 based NO gas sensors using plasma surface treatment,” Applied Surface Science, In Press, pp.157929, 07 2023. (SCI)
7. Jia-Wei Chen, Yun-Guan Wei, Hung-Yang Lo, SiCheng Lu, Yi-Che Chen, Chi-Fong Lei, Po-Liang Liu, Pu Yu, Nien-Ti Tsou, Akira Yasuhara, Wen-Wei Wu*, and Ying-Hao Chu*, “Mechanically Robust Interface at Metal/Muscovite Quasi van der Waals Epitaxy,” ACS Applied Materials and Interfaces, vol.15, pp.47715-47724, 09 2023. (SCI)
8. Ray Hua Horng*, Xin-Ying Tsai, Fu-Gow Tarntair, Jia-Min Shieh, Shao-Hui Hsu, Jitendra Pratap Singh, Guan-Cheng Su, Po-Liang Liu, “P-type conductive Ga2O3 epilayers grown on sapphire substrate by phosphorus-ion implantation technology,” Materials Today Advances, vol.20, pp.100436, 10 2023. (SCI)
9. Yu-Hsuan Hsu, Wan-Yu Wu, Kun-Lin Lin, Yu-Hsuan Chen, Yi-Hsin Lin, Po-Liang Liu, Ching-Lien Hsiao, and Ray-Hua Horng*, “ε‑Ga2O3 Grown on c‑Plane Sapphire by MOCVD with a Multistep Growth Process,” Crystal Growth & Design, vol.22, pp.1837-1845, 01 2022. (SCI)
10. Chao-Chun Yen, Anoop Kumar Singh, Hsun Chang, Kai-Ping Chang, Po-Wei Chen, Po-Liang Liu, and Dong-Sing Wuu, “Pulsed laser deposition grown non-stoichiometry transferred ZnGa2O4 films for deep-ultraviolet applications,” Applied Surface Science, vol.153700, pp.597, 05 2022. (SCI)
11. Jen-Chuan Tung*, Chi-Hsuan Lee, Po-Liang Liu, and Yin-Kuo Wang*, “Electronic Band Structures of the Possible Topological Insulator Pb2BiBrO6 and Pb2SeTeO6 Double Perovskite: An Ab Initio Study,” Applied Sciences, vol.12, pp.5913, 06 2022. (SCI)
12. Jen-Chuan Tung, Shih-Wei Huang, Che-An Pai, Ray-Hua Horng, Cheng-Chung Chang, Dun-Ru Hung, and Po-Liang Liu*, “Ab Initio Studies of Work Function Changes of CO Adsorption on Clean and Pd-Doped ZnGa2O4(111) Surfaces for Gas Sensors,” Applied Sciences, vol.12, pp.5978, 06 2022. (SCI)
13. Jen-Chuan Tung*, Shih-Wei Huang, Bo-En Wu, Cheng-Chung Chang, and Po-Liang Liu*, “The Effect of Cr Substitution on the Anomalous Hall Effect of Co3-xCrxAl (x = 0, 1, 2, 3) Heusler Compounds: An Ab Initio Study,” Applied Sciences, vol.12, pp.8303, 08 2022. (SCI)
14. Chia Ming Chou, Cheng-Jie Wang, Ying Ke, Guo-Yi Shiu, Yi-Yun Chen, Kuei-Ting Chen, Yi-Chun Chen, Hsiang Chen, Jhih-Hong Shao, Po-Liang Liu, Jung Han*, and Chia-Feng Lin*, “Characterizations of AlGaN/GaN Membrane-type Photodetectors,” ACS Applied Optical Materials, vol.1, pp.314-320, 09 2022. (SCI)
15. Ray-Hua Horng*, Shu-Hsien Lin, Dun-Ru Hung, Po-Hsiang Chao, Pin-Kuei Fu, Cheng-Hsu Chen, Yi-Che Chen, Jhih-Hong Shao, Chiung-Yi Huang, Fu-Gow Tarntair, Po-Liang Liu, and Ching-Lien Hsiao, “Structure Effect on the Response of ZnGa2O4 Gas Sensor for Nitric Oxide Applications,” Nanomaterials, vol.12, pp.3759, 10 2022. (SCI)
16. Ray-Hua Horng*, Dong-Sing Wuu, Po-Liang Liu, Apoorva Sood, Fu-Gow Tarntair, Yu-Hsuan Chen, Singh Jitendra Pratap, Ching-Lien Hsiao, “Growth mechanism and characteristics of β-Ga2O3 heteroepitaxailly grown on sapphire by metalorganic chemical vapor deposition,” Materials Today Advances, vol.16, pp.100320, 11 2022. (SCI)
17. Jen-Chuan Tung, Ding-Yuan Wang, Yu-Hsuan Chen, and Po-Liang Liu* , “Influences of Work Function Changes in NO2 and H2S Adsorption on Pd-Doped ZnGa2O4(111) Thin Films: First-Principles Studies,” Applied Sciences, vol.11, pp.5259, 06 2021. (SCI)
18. Jen-Chuan Tung, Yu-Hsuan Hsieh, and Po-Liang Liu* , “Strain Induced Topological Insulator Phase in CsPbBrxI3-x (x = 0, 1, 2, and 3) Perovskite: A Theoretical Study,” Applied Sciences, vol.11, pp.5353, 06 2021. (SCI)
19. Ray-Hua Horng*, Yu-Cheng Kao, Apoorva Sood, Po-Liang Liu, Wei-Cheng Wang, and Yen-Jui Teseng, “GaInP/GaAs/poly-Si Multi-Junction Solar Cells by in Metal Balls Bonding,” Crystals, vol.11, pp.726, 06 2021. (SCI)
20. Apoorva Sood, Fow-Gow Tarntair, Yu-Xuan Wang, Ting-Chang Chang, Yu-Hsuan Chen, Po-Liang Liu, Ray-Hua Horng* , “Performance enhancement of ZnGa2O4 Schottky type deep-ultraviolet photodetectors by oxygen supercritical fluid treatment,” Results in Physics, vol.29, pp.104764, 10 2021. (SCI)
21. Jung-Yao Yeh, Chih-Cheng Chen, Po-Liang Liu*, and Ying-Hsuan Huang , “21. Jung-Yao Yeh, Chih-Cheng Chen, Po-Liang Liu*, and Ying-Hsuan Huang (2020, Jan), High-Payload Data-Hiding Method for AMBTC Decompressed Images,” Entropy, vol.22, pp.145, 01 2020. (SCI)
22. Po-Liang Liu*, “An efficient materials genome method to predict heterostructure interfaces,” Materials Today Communications, vol.23, pp.100866, 06 2020. (SCI)
23. Sheng-Fang Huang, Yen-Cheng Chang, and Po-Liang Liu* , “New Ternary Compounds of the Composition Cu2SnTi3 and Their Crystal Structures,” Applied Sciences, vol.10, pp.8776, 12 2020. (SCI)
24. Jen-Chuan Tung, Yi-Hung Chiang, Ding-Yuan Wang, and Po-Liang Liu*, “Adsorption of NO2 and H2S on ZnGa2O4(111) Thin Films: A First-Principles Density Functional Theory Study,” Applied Sciences, vol.10, pp.8822, 12 2020. (SCI)
25. Jen-Chuan Tung, Bang-Wun Lin, and Po-Liang Liu*, “Intermediate Band Studies of Substitutional V2+, Cr2+, and Mn2+ Defects in ZnTe Alloys,” Applied Sciences, vol.10, pp.8937, 12 2020. (SCI)
26. Jen-Chuan Tung, Tsung-Che Li, Yen-Jui Teseng, and Po-Liang Liu*, “Effect of Nitrogen on the Growth of (100)-, (110)-, and (111)-Oriented Diamond Films,” Applied Sciences, vol.11, pp.126, 12 2020. (SCI)
27. Li-Chung Cheng, Min-Ru Wu, Chiung-Yi Huang, Tzu-Kuang Juang, Po-Liang Liu, and Ray-Hua Horng* , “Effect of Defects on the Properties of ZnGa2O4 Thin-Film Transistors,” ACS Applied Electronic Materials, vol.1, pp.253-259, 01 2019. (SCI)
28. Cheng-Yu Chien, Jung-Yao Yeh, Young-Chin Huang, Ming-Tzer Lin, and Po-Liang Liu* , “Ab-initio study of (111) to (001) texture transformation in Ag thin films,” Materials Transactions, vol.60, no.3, pp.437-440, 02 2019. (SCI)
29. Min-Ru Wu, Wei-Zhong Li, Chun-Yi tung, Chiung-Yi Huang, Yi-Hung Chiang, Po-Liang Liu, and Ray-Hua Horng*, “No gas sensor based on ZnGa2O4 epilayer grown by metalorganic chemical vapor deposition,” Scientific reports, vol.9, pp.7459, 04 2019. (SCI)
30. Ming-Chun Tseng, Dong-Sing Wuu, Chi-Lu Chen, Hsin-Ying Lee, Cheng-Yu Chien, Po-Liang Liu, Ray-Hua Horng* , “Characteristics of atomic layer deposition–grown zinc oxide thin film with T and without aluminum,” Applied Surface Science, vol.491, pp.535-543, 06 2019. (SCI)
31. Ray-Hua Horng, Chiung-Yi Huang, Sin-Liang Ou, Tzu-Kuang Juang, and Po-Liang Liu, “Epitaxial Growth of ZnGa2O4: A New, Deep Ultraviolet Semiconductor Candidate,” Crystal Growth & Design, vol.17, pp.6071-6078, 10 2017. (SCI)
32. X. Li, K.-W. Lin, H.-T. Liang, P.-L Liu, W.-C. Lo, D. L. Cortie, F. Klose, J. van Lierop, L. Li, and Philip W.T. Pong*, “The effects of post-deposition ion-beam bombardment with oxygen on the Co surface in modifying the magnetic properties of Co thin films,” Microelectronic Engineering, vol.152, pp.41-47, 02 2016. (SCI)
33. Kuo-Cheng Liao, Yu-Hsien Wang, Po-Liang Liu*, and Huan-Chen Wang , “Fundamental properties of GaN(0001) films grown directly on Gd2O3(0001) platforms: ab initio structural simulations,” Optical and Quantum Electronics, vol.48, pp.198, 02 2016. (SCI)
34. Cheng-Lun Hsin*, Hsu-Shen Teng, Hsiang-Yuan Lin, Tzu-Hsuan Cheng, ChaoChia Cheng, and Po-Liang Liu, “Electronic structure and infrared light emission in dislocation-engineered silicon,” IEEE Transactions on Nanotechnology, vol.14, pp.399-403, 02 2015. (SCI)
35. 29. Cheng-Lun Hsin*, Chun-Wei Huang, Jui-Yuan Chen, Kuo-Cheng Liao, Po-Liang Liu, Wen-Wei Wu*, and Lih-Juann Chen, “Direct Observation of Sublimation Behaviors in One-dimensional In2Se3/In2O3 Nanoheterostructures,” Analytical Chemistry, vol.87, pp.5584-5588, 05 2015. (SCI)
36. Yen-Wei Chen, Po-Liang Liu*, and Chun-Hsiang Chan, “First-Principles Studies of Er2O3(110) Heteroepitaxy on Si(001),” International Journal of Applied Physics and Mathematics, vol.4, no.4, pp.108-112, 03 2014. (SCI)
37. Po-Liang Liu* and Kuo-Cheng Liao, “Accommodation at the interface of highly dissimilar GaN(0001)/Sc2O3(111) heteroepitaxial systems,” Scripta Materialia, vol.68, pp.211, 01 2013. (SCI)
38. Ming-Hsien Lee, Po-Liang Liu*, Yung-An Hong, Yen-Ting Chou, Jia-Yang Hong, and Yu-Jin Siao, “Electronic band structures of Ge1−xSnx semiconductors: A first–principles density functional theory study,” Journal of Applied Physics, vol.113, pp.063517, 02 2013. (SCI)
39. Po-Liang Liu* and Peng-Tsang Shao, “Electronic structure and band gap engineering of ZnO–based semiconductor alloy films,” Molecular Simulation, vol.DOI:10.1080/08927022.2013.7891, 04 2013. (SCI)
40. Po-Liang Liu*, Yen-Ting Chou, and Jia-Yang Hong, “Valence–Band Offset of m–Plane GaN(1100) Films Grown on LiAlO2(100) Substrates,” Applied Physics Express, vol.6, pp.071001, 05 2013. (SCI)
41. Po-Liang Liu* and Jia-Yang Hong, “Double–shell C60@C240 Fullerenes with Stone–Wales Defects for Hydrogen Storage: An ab–initio Study,” Journal of Applied Physics, vol.114, pp.114301, 06 2013. (SCI)
42. Ming-Shiou Lin, Chia-Feng Lin*, Wan-Chun Huang, Guei-Miao Wang, Bing-Cheng Shieh, Jing-Jie Dai, Shou-Yi Chang, D. S. Wuu, Po-Liang Liu, and Ray-Hua Horng, “Chemical–Mechanical Lift-Off Process for InGaN Epitaxial Layers,” Applied Physics Express, vol.4, pp.062101, 01 2011. (SCI)
43. Po-Liang Liu* and Yu-Jin Siao, “Ab initio study on preferred growth of ZnO,” Scripta Materialia, vol.64, pp.483-485, 01 2011. (SCI)
44. Po-Liang Liu*, Yu-Jin Siao, Yen-Ting Wu, Chih-Hao Wang and Chien-Shun Chen, “Structural, electronic and energetic properties of GaN[0001]/Ga2O3[100] heterojunctions: A first-principles density functional theory study,” Scripta Materialia, vol.65, pp.465-468, 05 2011. (SCI)
45. Yu-Jin Siao, Po-Liang Liu*, and Yen-Ting Wu, “Ab initio Study of Atomic Hydrogen on ZnO Surfaces,” Applied Physics Express, vol.4, pp.125601, 11 2011. (SCI)
46. Po-Liang Liu, “Highly Strained Metastable Heterojunction between Wurtzite GaN(0001) and Cubic CrN(111),” Journal of The Electrochemical Society, vol.157, pp.D577-D581, 09 2010. (SCI)
47. Yu-Li Tsai, Ray-Hua Horng*, Ming-Chun Tseng, Chia-Hao Kuo, Po-Liang Liu, Dong-Sing Wuu, and Der-Yuh Lin, “Phase separation phenomenon in MOCVD–grown GaInP epitaxial layers,” Journal of Crystal Growth, vol.311, pp.3220, 04 2009. (SCI)
48. Yu-Li Tsai, Ray-Hua Horng*, Po-Liang Liu, Ming-Chun Tseng, Der-Yuh Lin, Dong-Sing Wuu, and Xinhe Zheng, “Elimination of phase separation in MOCVD–grown GaInP epilayers by compositionally step–graded Ga1–xInxP multilayers,” Journal of Applied Physics, vol.106, pp.063517, 09 2009. (SCI)
49. Po-Liang Liu, A. V. G. Chizmeshya, and John Kouvetakis, “Structural, electronic, and energetic properties of SiC[111]/ZrB2[0001] heterojunctions:A first-principles density functional theory study,” Physical Review B, vol.77, no.3, pp.035326, 01 2008. (SCI)
50. S. Y. Huang, R.-H. Horng*, P. L. Liu, J. Y. Wu, H. W. Wu, and D. S. Wuu, “Thermal Stability Improvement of Vertical Conducting Green Resonant-Cavity Light-Emitting Diodes on Copper Substrates,” IEEE Photonics Technology Letters, vol.20, pp.797-799, 05 2008. (SCI)
51. Po-Liang Liu, “The Relation Between the Distribution of Dihedral Angels and the Wetting Angle during Liquid Phase Sintering,” Computational Materials Science, vol.36, no.4, pp.468-473, 05 2006. (SCI)
52. Rahul Trivedi, Po-Liang Liu, Radek Roucka, John Tolle, A.V.G. Chizmeshya, I. S. T. Tsong and J. Kouvetakis, “Mismatched Heteroepitaxy of Tetrahedral Semiconductors with Si via ZrB2 Templates,” Chemistry of Materials, vol.17, no.18, pp.4647-4652, 06 2005. (SCI)
53. Po-Liang Liu, A. V. G. Chizmeshya, John Kouvetakis, and Ignatius S. T. Tsong, “First-Principles Studies of GaN(0001) Heteroepitaxy on ZrB2(0001),” Physical Review B, vol.72, pp.245335, 11 2005. (SCI)
54. Z. T. Wang, Y. Yamada-Takamura, Y. Fujikawa, T. Sakurai, Q. K. Xue, J. Tolle, P.-L. Liu, A. V. G. Chizmeshya, J. Kouvetakis, and I.S.T. Tsong, “Surface and interface studies of GaN epitaxy on Si(111) via ZrB2 buffer layers,” Physical Review Letters, vol.95, pp.266105, 12 2005. (SCI)
55. Po-Liang Liu* and Shun-Tian Lin, “Three-Dimensional Modeling of the Grain Growth by Coalescence in the Initial Stage of Liquid Phase Sintering,” Materials Transactions, vol.44, no.5, pp.924-930, 05 2003. (SCI)
56. Po-Liang Liu* and Shun-Tian Lin, “Relation between Widths of the Grain Boundary Energy Cusps at Special Misorientations and the Microstructural Characteristics in the Sintering of a Fe-Cu-C Alloy,” Materials Transactions, vol.43, no.3, pp.544-550, 01 2002. (SCI)
57. Po-Liang Liu* and Shun-Tian Lin, “The K Value Distribution of Liquid Phase Sintered Microstructures,” Materials Transactions, vol.43, no.8, pp.2115-2119, 08 2002. (SCI)
58. Po-Liang Liu* and Shun-Tian Lin, “Three-Dimensional Modeling of Coordination number and Contiguity in the Incipient Stage of Liquid Phase Sintering,” Key Engineering Materials, vol.227, pp.67-72, 08 2002. (SCI、EI)

1. Cheng-Lung Yu, Guang-Cheng Su, Jing-Du Fu, and Po-Liang Liu*, “Ab initio study of the electronic structure and defect formation energy of Sn-doped β-Ga2O3,” Poster No. G-P-352, 2023 TACT International Thin Films Conference, GIS TAIPEI TECH Convention Center, National Taipei University of Technology, Taipei, Taiwan, 01 2023.
2. Cheng-Lung Yu, Jine-Du Fu, and Po-Liang Liu*, “Ab Initio Study of Electronic Structures and Defect Formation Energy of Al-Doped ZnGa2O4,” 2023 Conference on Precision Machinery and Manufacturing Technology (PMMT 2023), Poster No. J005, Pingtung, Taiwan, 05 2023.
3. J.-C. Tung and P.-L. Liu*, “A first-principles study of spin-spiral waves and exchange interactions in cobalt based Co2XY (X=Cr, Mn, Fe; Y=Al, Ga, In, Si, Ge, Sn) Heusler compounds,” TAMT Annual Conference on Magnetism and Magnetic Technology 2023, Minghsin University of Science and Technology, Taiwan, 07 2023.
4. J.-C. Tung, Y.-K. Wang, and P.-L. Liu*, “Electronic, magnetic, and mechanical properties of the A2XTaO6 (A=Li, Na, K, Rb; X=Fe, Co, Ni) double perovskites: A first-principles study,” TAMT Annual Conference on Magnetism and Magnetic Technology 2023, Minghsin University of Science and Technology, Taiwan, 07 2023.
5. Sheng-Yuan Jhang, Jia-Wei Dai, and Po-Liang Liu*, “Performance Comparison of ZnGa2O4 Thin Film Transistors for High-Power Applications Fabricated by RF Sputtering and MOCVD,” International Electron Devices & Materials Symposium (IEDMS 2023), Paper No.1098, National Sun Yat-Sen University, Kaohsiung, Taiwan, 10 2023.
6. Ying-Hao Chen, V. Venkata Durga Sai, Yi-Ke Yang, Daniel K. H. Shen, and Po-Liang Liu*, “Computational Analysis of Triazole Compounds for Copper Corrosion Control in Chemical Mechanical Planarization,” The 4th International Symposium on Precision Engineering 2023, ISPE 2023, Oral Presentation, No. O-5, Hsinhua Forest Station, Tainan, Taiwan, 11 2023.
7. Ying-Hao Chen, Kshetrimayum Chingkhei Meitei, Daniel K. H. Shen, and Po-Liang Liu*, “Understanding the Impact of Copper Corrosion Inhibitors on Cu2O(111) Surfaces in Chemical Mechanical Planarization using Ab initio method,” The 4th International Symposium on Precision Engineering 2023, ISPE 2023, Oral Presentation, No. O-06, Hsinhua Forest Station, Tainan, Taiwan, 11 2023.
8. Jhih-Hong Shao, Jun-Kai Chyou, and Po-Liang Liu*, “Ab initio Studies of Work Function Changes of NO Adsorption on ZnGa2O4(111) Surface for Gas Sensors,” The 4th International Symposium on Precision Engineering 2023, ISPE 2023, Outstanding Oral Presentation Award, Oral Presentation No. O-12, Hsinhua Forest Station, Tainan, Taiwan, 11 2023.
9. Cheng-Lung Yu, Ping-Jui Hsieh, Jine-Du Fu, and Po-Liang Liu*, “Computational Analysis of Electronic Structures and Defect Formation Energy in Aluminum-Doped ZnGa2O4: An Ab initio Study,” The 4th International Symposium on Precision Engineering 2023, ISPE 2023, Oral Presentation, No. O-13, Hsinhua Forest Station, Tainan, Taiwan, 11 2023.
10. Ying-Hao Chen, Ramteja Saragandla, Yi-Ke Yang, Daniel K. H. Shen, and Po-Liang Liu*, “First-Principles Studies of Adsorption Energy for Deprotonated Triazole Molecules on Cu(111),” The 4th International Symposium on Precision Engineering 2023, ISPE 2023, Oral Presentation, No. O-14, Hsinhua Forest Station, Tainan, Taiwan, 11 2023.
11. Yen-Ru Chen, Po-Hsiang Wang, Po-Liang Liu, and Dong-Sing Wuu*, “Effect of Isolation Process on Device Performance of Red Micro-LEDs,” The 4th International Symposium on Precision Engineering 2023, ISPE 2023, Excellent Poster Award, Poster No. P-3, Hsinhua Forest Station, Tainan, Taiwan, 11 2023.
12. Ying Xiang Lin, Hui-Yi Tsai, Po-Liang Liu, Dong-Sing Wuu, and Wan-Yu Wu, “Effect of Bipulse and Substrate Bias in the Deposition of TiAlN Coatings Using High Power Impulse Magnetron Sputtering Technique,” Materials Research Society-Taiwan Annual Meeting 2022, Excellent Poster Award, Paper No. P09-010, Poster No. 253, Session 9, National United University, Miaoli County, Taiwan, 01 2022.
13. Chao-Chun Yen, Anoop Kumar Singh, Hsun Chang, Po-Liang Liu, Dong-Sing Wuu,, “Growth and characterization of non-stoichiometry transferred ZnGa2O4 films by pulsed laser deposition,” The 10th Asia-Pacific Workshop on Widegap Semiconductors (APWS 2022),Poster No. PT-04, Poster Session II, COZZI Blu, Taoyuan, Taiwan, 11 2022.
14. Chan-Hung Lu*, Ray-Hua Horng*, Fu-Gow Tarntair, Dong-Sing Wuu, Po-Liang Liu, Ching-Lien Hsiao, and Singh Jitendra Pratap, “Characteristics of β-Ga2O3 epilayers grown on sapphire by metal-organic chemical vapor deposition,” The 10th Asia-Pacific Workshop on Widegap Semiconductors (APWS 2022),Oral No. OMG-10, Topic: Crystal Growth, COZZI Blu, Taoyuan, Taiwan, 11 2022.
15. Jen-Chuan Tung, Shih-Wei Huang, Dun-Ru Hung, Po-Liang Liu*, Ray-Hua Horng, and Cheng-Chung Chang, “Ab initio Studies of Work Function Changes of O3 Adsorption on ZnGa2O4 (111) Surface for Gas Sensors,” The 3rd International Symposium on Precision Engineering 2022, ISPE 2022,Poster No. P-01, Hui-Sun Experimental Forest Station, Nantou, Taiwan, 11 2022.
16. Yu-Cheng Lin, and Po-Liang Liu*, “Ab initio Studies of Work Function Changes of H2O Adsorption on ZnGa2O4(111) Surface for Gas Sensors,” The 3rd International Symposium on Precision Engineering 2022, ISPE 2022,Poster No. P-03, Hui-Sun Experimental Forest Station, Nantou, Taiwan, 11 2022.
17. Yi-Cheng Tang and Po-Liang Liu*, “Ab initio calculation of epitaxial softening of crystal structures of NiO(111) and SnO2(100),” The 3rd International Symposium on Precision Engineering 2022, ISPE 2022, Poster No. P-04, Hui-Sun Experimental Forest Station, Nantou, Taiwan, 11 2022.
18. Jia-Wei Dai and Po-Liang Liu*, “An Ab initio Heterojunctions Database for GaN/Muscovite,” The 3rd International Symposium on Precision Engineering 2022, ISPE 2022, Poster No. P-05, Hui-Sun Experimental Forest Station, Nantou, Taiwan, 11 2022.
19. Yi-Che Chen and Po-Liang Liu*, “Deep Learning-Based Gas Molecule Adsorption Prediction of NO, NO2, CO, CO2, H2S and O3 Vacuum Energy: Optimization, Analysis, and Explanation,” The 3rd International Symposium on Precision Engineering 2022, ISPE 2022, Poster No. P-06, Hui-Sun Experimental Forest Station, Nantou, Taiwan, 11 2022.
20. Jhih-Hong Shao and Po-Liang Liu*, “Ab initio Studies of Work Function Changes of NO Adsorption on ZnGa2O4(111) Surface for Gas Sensors,” The 3rd International Symposium on Precision Engineering 2022, ISPE 2022, Poster No. P-07, Hui-Sun Experimental Forest Station, Nantou, Taiwan, 11 2022.
21. Chia-Jung Yang, Jen-Chuan Tung, and Po-Liang Liu*, “First-Principles Calculations of Spin Spirals in Co-based Heusler Alloys Co2XY (X=Cr, Mn, Fe; Y=Al, Ga, In, Si, Ge, Sn),” The 3rd International Symposium on Precision Engineering 2022, ISPE 2022, Poster No. P-08, Hui-Sun Experimental Forest Station, Nantou, Taiwan, 11 2022.
22. Jen-Chuan Tung, Yin-kuo Wang, and Po-Liang Liu*, “Large Band Gap Topological Insulators Sn2BiBrO6 and Sn2SeTeO6 Double Perovskites: A First-principle Theoretical Calculation,” The 3rd International Symposium on Precision Engineering 2022, ISPE 2022, Poster No. P-09, Hui-Sun Experimental Forest Station, Nantou, Taiwan, 11 2022.
23. Ying-Xiang Lin, Yu-Shuo Zhang, Po-Liang Liu, Dong-Sing Wuu, and Wan-Yu Wu*, “Study of Substrate Bias for Improved Mechanical Properties of CrAlN by High Power Impulse Magnetron Sputtering Technique,” TACT 2022 Thin Films Conference, Excellent Poster Award, Paper No. 0077, Poster No. R-D002, Session D, National Chi Nan University, Nantou County, Taiwan, 11 2022.
24. Wei-Cheng Wang, Ming-Hsien Lee, and Po-Liang Liu*, “Structural and Energetic Properties of Flexible Muscovite Substrate: A First-Principles Density Functional Theory Study,” 2021 Conference on Precision Machinery and Manufacturing Technology (PMMT 2021), Poster No. C008, Pingtung, Taiwan, 05 2021.
25. N. R. Chang, P. H. Chen, Po-Liang Liu, and D.S. Wuu*, “Improvement in 80×160 Passive-Matrix μ-LED Display via Passivation Coatings,” The 2nd International Symposium on Precision Engineering 2021, ISPE 2021, Poster No. P-16, Excellent Poster Award, Han-Hsien International Hotel, Kaohsiung, Taiwan, 11 2021.
26. Po-Liang Liu*, Yu-Hsuan Wu, Yu-Cheng Lin, and Sheng-Lun Liao, “Using Material Gene of Machine Learning to Predict Interface for Heterostructures,” The 2nd International Symposium on Precision Engineering 2021, ISPE 2021, Poster No. P-01, Han-Hsien International Hotel, Kaohsiung, Taiwan, 11 2021.
27. Ying-Hao Chen, Yi-Ke Yang, Jen-Chuan Tung, Jhih-Hong Sha1, Kwo-Hung Shen, and Po-Liang-Liu*, “Ab initio Study of Triazole as Copper Corrosion Inhibitors in Chemical Mechanical Planarization,” The 2nd International Symposium on Precision Engineering 2021, ISPE 2021, Poster No. P-05, Han-Hsien International Hotel, Kaohsiung, Taiwan, 11 2021.
28. Jen-Chuan Tung, Jian-Sheng Xie Su, Yi-Che Chen, Ray-Hua Horng and Po-Liang Liu*, “Ab Initio Study of Atomic Structures of Ga(Zn) doped ZnO(Ga2O3),” The 2nd International Symposium on Precision Engineering 2021, ISPE 2021, Poster No. P-07, Han-Hsien International Hotel, Kaohsiung, Taiwan, 11 2021.
29. Jen-Chuan Tung, Yen-Jui Teseng, Yi-Cheng Tang, Ray-Hua Horng, and Po-Liang Liu*, “Ab Initio Study of Electronic Structures and Defect Formation Energy of Sb Doped ZnO,” The 2nd International Symposium on Precision Engineering 2021, ISPE 2021, Poster No. P-09, Han-Hsien International Hotel, Kaohsiung, Taiwan, 11 2021.
30. Jen-Chuan Tung, Bo-En Wu, Jia-Wei Dai, and Po-Liang Liu*, “First-principles Calculation to Study the Anomalous Hall Effect of Co3−xCrxAl (x= 0, 1, 2, 3) Heusler Compounds,” The 2nd International Symposium on Precision Engineering 2021, ISPE 2021, Poster No. P-11, Han -Hsien International Hotel, Kaohsiung, Taiwan, 11 2021.
31. Jen-Chuan Tung, Po-Chun Shih, Jine-Du Fu, and Po-Liang Liu*, “Ab initio Study of WTe2 Band Structures with Vertical Electric Field Applied in MOSFETs,” The 2nd International Symposium on Precision Engineering 2021, ISPE 2021, Poster No. P-14, Han-Hsien International Hotel, Kaohsiung, Taiwan, 11 2021.
32. Jen-Chuan Tung, Min-Hsun Tsai, Jine-Du Fu, and Po-Liang Liu*, “Ab initio Study of Copper Corrosion Inhibitors on Cu2O(111) Surfaces for Chemical Mechanical Planarization,” The 2nd International Symposium on Precision Engineering 2021, ISPE 2021, Poster No. P-17, Han-Hsien International Hotel, Kaohsiung, Taiwan, 11 2021.
33. Jen-Chuan Tung, Che-An Pai, Yu-Hsuan Chen, and Po-Liang Liu*, “Ab initio Studies of Work function Changes of CO Adsorption on Clean and Pd-doped ZnGa2O4(111) Surface for Gas Sensor,” The 2nd International Symposium on Precision Engineering 2021, ISPE 2021, Poster No. P-18, Han-Hsien International Hotel, Kaohsiung, Taiwan, 11 2021.
34. Hsun Chang, Po-Wei Chen, Jung-Lung Chiang, Po-Liang Liu, Dong-Sing Wuu*, “The influence of different substrate temperature on the characteristics of pulsed laser deposition of ZnGa2O4 film,” TACT 2020 Conference, Paper No. 0090, Poster No. 62, Excellent Poster Award, Applied Science &Technology Building, Graduate Institute of Precision Engineering, National Chung-Hsing University, Taichung, Taiwan, 10 2020.
35. Wei-Cheng Wang and Po-Liang Liu*, “First-principles calculation of mica film structure for flexible electronic components,” TACT 2020 Conference, Paper No. 0223, Poster No. 167, Applied Science &Technology Building, Graduate Institute of Precision Engineering, National Chung-Hsing University, Taichung, Taiwan, 10 2020.
36. Tsun-Min Huang, Hsun Chang, Po-Wei Chen, Jung-Lung Chiang, Po-Liang Liu, Dong-Sing Wuu*, “Characteristics of Ga2O3 films deposited by sputtering on different substrates and photo sensors,” TACT 2020 Conference, Paper No. 0097, Poster No. 29, Applied Science &Technology Building, Graduate Institute of Precision Engineering, National Chung-Hsing University, Taichung, Taiwan, 10 2020.
37. Hsun Chang, Tsun-Min Huang, Jung-Lung Chiang, Po-Liang Liu, and Dong-Sing Wuu*, “Study of photodetector of gallium oxide on p-type silicon substrate with different annealing temperature,” 2020 1st International Symposium on Precision Engineering 2020, ISPE 2020, Poster No. P-75, Huisun Experimental Forest, Nantou County, Taiwan, 11 2020.
38. Jen-Chuan Tung, Tsung-Che Li, Yen-Jui Teseng, and Po-Liang Liu*, “Effect of nitrogen on the growth of (100)-, (110)-, and (111)-oriented diamond films,” 2020 1st International Symposium on Precision Engineering 2020, ISPE 2020, Poster No. P-83, Excellent Poster Award, Huisun Experimental Forest, Nantou County, Taiwan, 11 2020.
39. Jen-Chuan Tung, Yi-Hung Chiang, Ding-Yuan Wang, and Po-Liang Liu*, “Adsorption of NO2 and H2S on ZnGa2O4(111) thin films,” 2020 1st International Symposium on Precision Engineering 2020, ISPE 2020, Poster No. P-84, Huisun Experimental Forest, Nantou County, Taiwan, 11 2020.
40. Jen-Chuan Tung, Bang-Wun Li, and Po-Liang Liu*, “Intermediate band studies of substitutional V2+, Cr2+, and Mn2+ defects in ZnTe alloys,” 2020 1st International Symposium on Precision Engineering 2020, ISPE 2020, Poster No. P-85, Huisun Experimental Forest, Nantou County, Taiwan, 11 2020.
41. Jen-Chuan Tung, Yu-Hsuan Hsieh, and Po-Liang Liu*, “Strain induced topological insulator phase in CsPbBrxI3−x (x=0, 1, 2, and 3) perovskite: an ab initio study,” 2020 1st International Symposium on Precision Engineering 2020, ISPE 2020, Poster No. P-87, , Huisun Experimental Forest, Nantou County, Taiwan, 11 2020.
42. Jen-Chuan Tung, Ding-Yuan Wang, and Po-Liang Liu*, “Work Function Changes of NO2 and H2S on Pd- doped ZnGa2O4(111) Surfaces: First-Principles Studies,” 2020 1st International Symposium on Precision Engineering 2020, ISPE 2020, Poster No. P-88, Huisun Experimental Forest, Nantou County, Taiwan, 11 2020.
43. Sheng-Fang Huang, Yen-Cheng Chang, and and Po-Liang Liu*, “Synthesis and Materials Properties of New Ternary Compounds Cu2SnTi3 for Brazing Applications,” 2020 1st International Symposium on Precision Engineering 2020, ISPE 2020, Poster No. P-89, Huisun Experimental Forest, Nantou County, Taiwan, 11 2020.
44. Po-Liang Liu*, “Effect of nitrogen on the growth of (100)-, (110)-, and (111)-oriented diamond films,” 2020 1st International Symposium on Precision Engineering 2020, ISPE 2020, Poster No. P-83, Huisun Experimental Forest, Nantou County, Taiwan, 11 2020.
45. Tzu-Kuang Juang, Yen-Cheng Chang, and Po-Liang Liu*, “Ab initio Study of Strain-Induced ZnGa2O4/Al2O3 Heterojunctions,” 2019 Riken-NCHU Joint Symposium, Poster No. P3, Applied Science & Technology Building, National Chung-Hsing University, Taichung, Taiwan, 08 2019.
46. Tsung-Che Li, Po-Chun Shih, and Po-Liang Liu*, “Ab initio Study of the Effect of Nitrogen Doping on the Growth of Diamond Films,” 2019 Riken-NCHU Joint Symposium, Poster No. P4, Applied Science & Technology Building, National Chung-Hsing University, Taichung, Taiwan, 08 2019.
47. Yu-Hsuan Hsieh, Yu-Sheng Hung, and Po-Liang Liu*, “Ab initio study of topological insulator perovskite CsPbBr3,” 2019 Riken-NCHU Joint Symposium, Poster No. P5, Applied Science & Technology Building, National Chung-Hsing University, Taichung, Taiwan, 08 2019.
48. Yi-Hung Chiang, Ding-Yuan Wang, and Po-Liang Liu*, “Ab initio study of work function by NO2 and H2S molecules on ZnGa2O4(111) surfaces,” 2019 Riken-NCHU Joint Symposium, Poster No. P6, Applied Science & Technology Building, National Chung-Hsing University, Taichung, Taiwan, 08 2019.
49. Tzu-Kuang Juang, Jian-Sheng Xie Su, and Po-Liang Liu*, “Ab initio Study of crystal structure from Ga2O3(2̅01) to ZnGa2O4(111) by doping Zn,” 2019 Riken-NCHU Joint Symposium, Poster No. P7, Applied Science & Technology Building, National Chung-Hsing University, Taichung, Taiwan, 08 2019.
50. Yu-Hsien Wang and Po-Liang Liu*, “Ab-initio Study of Zns/CaF2(111)Heterostructures,” 2015 Conference on Precision Machinery and Manufacturing Technology (PMMT 2015), Pingtung, Taiwan, pp.J010-01, 05 2015.
51. Ching-Hsu Yang and Po-Liang Liu*, “Ab-initio Study of the Chromium(II) Chloride Molecules on ZnS(111) Surface,” 2015 Conference on Precision Machinery and Manufacturing Technology (PMMT 2015), Pingtung, Taiwan, pp.J011-01, 05 2015.
52. Shao-Min-Chen and Po-Liang Liu, “Ab Initio Study of Mechanical Properties Zn1-x(V, Cr, Mn, Fe, Co, Ni, Cu)xS,” 2015 Conference on Precision Machinery and Manufacturing Technology (PMMT 2015), Pingtung, Taiwan, pp.J012-01, 05 2015.
53. Yi-Min Chu and Po-Liang Liu*, “Quantum Theoretical Study of GaN/Ga2O3 Heterointerfaces,” 2012 Conference on Precision Machinery and Manufacturing Technology (PMMT 2012), Pingtung, Taiwan, pp.c031-01, 05 2012.
54. Yen-Ting Chou and Po-Liang Liu*, “First-principles density functional theory studies of GaN(1-100) heteroepitaxial behavior on LiAlO2(100),” 2012 Conference on Precision Machinery and Manufacturing Technology (PMMT 2012), Pingtung, Taiwan, pp.c032-01, 05 2012.
55. P-L Liu* and P-T Shao, “Electronic Structure and Band Gap Engineering of ZnO-based Semiconductor Alloy Films,” NSTI-NanoTech 2012 (2012 TechConnect World Conference and Trade Show), Santa Clara, California, U.S.A., pp.697-700, 06 2012.
56. C. H. Wang and P. L. Liu*, “The Effect of Methyl Radical on Hydrogen Storage of Carbon Nanotubes,” The Physical Society of Republic of China,HP-054 , Taiwan Normal University, Taipei, Taiwan, 01 2011.
57. Po-Liang Liu*, Yen-Ting Wu, and Yu-Jin Siao, “Ab initio Study of the Hydrogen Molecule on ZnO Surfaces,” 2011 MRS Spring Meeting proceedings, Vol. 1327, mrss11-1327-g08-04 (2011 MRS Spring Meeting and Exhibit), San Francisco, California, U.S.A., 04 2011.
58. Po-Liang Liu*, Yu-Jin Siao, and Ming-Hsien Lee, “Theoretical Studies in Epitaxial Stabilization of ZnO-based Light-emitting Semiconductors,” NSTI-NanoTech 2010, Vol. 1, pp.129-132 (2010 TechConnect World Conference and Trade Show), Anaheim, California, U.S.A., 06 2010.
59. Po-Liang Liu* and Shun-Tian Lin, “The Relation Between the Distribution of Dihedral Angels and the Wetting Angle during Liquid Phase Sintering,” oral presentation in the proceeding for symposium K of the International Conference on Materials for Advanced Technologies & IUMRS-ICA 2003, Singapore, 12 2003.
60. Po-Liang Liu* and Shun-Tian Lin, “Three-Dimensional Modeling of Coordination number and Contiguity in the Incipient Stage of Liquid Phase Sintering,” oral presentation in the proceeding for symposium L of the International Conference on Materials for Advanced Technologies, Singapore, 07 2001.
61. Po-Liang Liu* and Shun-Tian Lin, “Novel Three-Dimensional Multi-Particle Model for Liquid Phase Sintering,” poster presentation in the Proceedings of the 2001 annual conference of the Chinese Society for Materials Science, Taichung, Taiwan, 11 2001.

奠基於密度泛函理論(Density Functional Theory)的第一原理計算方法，隨著高速電腦效能的日新月異，成功地拓展了在原子尺度下研究材料科學精確度與視野，也提供人們預測與設計新穎未來材料的能力。
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科技部工程司112年度一般型計畫
計畫主持人：劉柏良
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NT $ 380萬 應用於智慧城市之全方位系列氣體感測模組與智慧型雲端系統建置應用於環境監測一氧化氮/二氧化氮系列氣體感測器開發(3/4)
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NT $ 480萬 應用於智慧城市之全方位系列氣體感測模組與智慧型雲端系統建置應用於環境監測一氧化氮/二氧化氮系列氣體感測器開發(2/4)
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NT $ 474.5萬 應用於智慧城市之全方位系列氣體感測模組與智慧型雲端系統建置應用於環境監測一氧化氮/二氧化氮系列氣體感測器開發(1/4)
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NT $ 115.1萬 材料基因方法用以計算薄膜異質結構預測
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NT $ 82.5萬 氣化鋅鎵基氣體感測器應用於NO2與H2S氣體測定
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NT $ 3.2萬 The 2018 8th International Conference on Applied Physics and Mathematics （ICAPM 2018）
科技部工程司107年度補助國內專家學者出席國際學術會議
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NT $ 95.9萬 新世代氣相沉積鑽石薄膜成長技術研發(2/2)
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NT $ 412.8萬 高效率低漏電微型發光二極體晶粒之設計與製作三年計畫
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NT $ 70萬 新世代氣相沉積鑽石薄膜成長技術研發
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NT $ 277.7萬 開發新穎聚焦離子束數位影像相關技術FIB-DIC量測先進製程鍍膜殘餘應力與薄膜組織相變應力演進解析
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NT $ 100.1萬 利用過渡金屬摻雜二六族材料應用於新世代紅外線飛秒雷射第一原理計算研究
科技部工程司104年度一般型計畫
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NT $ 10.8萬 量子電子學與雷射科技 URSULA J GIBSON
科技部工程司104年度短訪計畫(邀請國際科技人士短期訪問)
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NT $ 69.6萬 次世代奈米儲氫碳材之量子理論研究
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NT $ 48.7萬 前瞻摻雜鉻離子之二六族材料應用於醫療級雷射第一原理計算研究
科技部103年度(第52屆)補助科學與技術人員國外短期研究
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NT $ 75.1萬 新穎犧牲層應用於高亮度/高功率固態照明之關鍵技術開發
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NT $ 15萬 新穎功能性磊晶層之第一原理Pourbaix相圖研究(2/2)
中興大學發展國際一流大學及頂尖研究中心計畫102年度全面提昇學術領域計畫
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NT $ 909萬 建構於氮化鎵模板之高功率發光二極體技術開發(2/2)
國家型科技計畫(產學合作)-開發型 100-101年度產學合作計畫
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NT $ 15萬 新穎功能性磊晶層之第一原理Pourbaix相圖研究
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NT $ 25萬 富勒烯儲氫特性之理論計算研究
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NT $ 1600萬 高功率發光二極體之智慧型模版技術開發兩年計畫
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NT $ 1127萬 建構於氮化鎵模板之高功率發光二極體技術開發(1/2)
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NT $ 38萬 次世代奈米儲氫碳材之量子理論研究
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NT $ 42萬 氮化鎵/氧化鎵奈米異質界面特性之量子理論研究
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NT $ 997.7萬 建構於氮化鎵模板之高功率發光二極體技術開發
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NT $ 191萬 新四族化合物半導體Si-Sn-Ge之第一原理計算研究
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NT $ 60萬 次世代藍光/綠光/紫外光化合物半導體之理論研究
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High performance computing
主要研究設備為高效能Linux Cluster叢集，搭配高速傳輸設備，伺服器透過PBS軟體的協助，有效的分配各平行程式所需使用到的硬體資源，使用熱門凝態物理計算之VASP(為由奧地利維也納大學所發展的 Vienna Ab-initio Simulation Package)與CASTEP(為由劍橋大學卡文迪西實驗室所發展的CAmbridge Serial Total Energy Package)之第一原理(First Principle)計算程式，乃是基於密度泛函理論(Density Functional Theory)，並配合投影綴加波方法(Projector Augmented Wave, PAW)、局域密度近似法(Local Density Approximation, LDA)與超軟膺勢位能(Ultra-soft Pseudopotential)等計算方法，研究重點包括(1)計算半導體薄膜之磊晶穩定性、應變性質、光學性質與載子傳輸性質，理論計算結果將用以設計研發次世代光電元件等。(2)利用第ㄧ原理分子動力學模擬，計算分子經由催化劑解離或吸附之過渡態反應途徑的位能曲線與反應時間等，用以研發次世代奈米儲氫碳材之量子理論研究等。

98 蕭宇晉 / 利用第一原理計算探討氧化鋅磊晶薄膜擇優生長機制與特性
98 王致皓 / 利用第一原理分子動力學研究奈米碳材儲氫機制與特性
98洪永安 / 利用第一原理探討鍺錫化合物半導體之能帶結構與光學特性

99吳彥廷 / 利用第一原理計算探討氫氣及氨氣在氧化鋅表面之研究
99張孝維 / 表面能量子計算方法之探討
99邵鵬蒼 / 利用第一原理探討氧化鋅半導體合金薄膜之電子結構與能帶工程
99陳建舜 / 利用第一原理計算研究氫氣及氨氣在氧化鎵表面之影響

100蕭宇岑 / 第一原理計算(AlCrTiZr)N高熵合金之彈性性質與銅擴散研究
100廖國成 / 第一原理計算氮化鎵磊晶成長於氧化釓與氧化鈧之異質界面結構
100周彥廷 / 氮化鎵/氧化鋁酸鋰與氮化鎵/氧化鎵酸鋰異質界面結構之第一原理研究
100洪嘉陽 / 利用第一原理探討缺陷雙層富勒烯C60@C240儲氫結構
100朱益民 / 第一原理計算氮化鎵與氧化鎵異質結構與氧化鎵電極電位與pH圖之研究

101陳彥瑋 / 氧化鉺/矽異質界面結構之第一原理研究
101王煥晨 / 以第一原理計算探討氨氣與氮化鎵(0001)及(000-1)表面之表面能研究
101詹鈞翔 / 利用第一原理計算探討含缺陷之雙層奈米碳管(6,6)/(11,11)儲氫結構
101林榜文 / 利用第一原理計算探討Cr2+0.25Zn0.75Te、V2+0.25Zn0.75Te及Mn2+0.25Zn0.75Te飛秒雷射與電光特性
101林忠信 / 氧化釓異質磊晶於矽之全始算研究
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