標題
✕簡思佳 副教授
簡思佳 副教授
Szu-Chia Chien
2015 美國麻州大學阿默斯特分校 化工博士
2015-2016 美國麻省理工 研究助理
2016-2021 美國俄亥俄州立大學 研究助理
分機: 34219
辦公室: 工程一館 E304B
研究室: 工程一館 E215
實驗室: 電腦計算材料實驗室
Email: scchien@ncu.edu.tw
研究領域
孔洞材料、抗腐蝕金屬材料、二維材料、密度泛函理論(DFT)、分子模擬與機器學習方法。
本實驗室主要的研究方向為利用不同的理論計算方式（包含蒙地卡羅方法、分子動力學與量子化學）與機器學習方法來探索材料科學的問題，像是材料合成機制的模擬、材料特性計算並開發設計新材料：
1. 利用密度泛函理論理論計算材料特性（包含二維材料、金屬與金屬氧化物及孔洞材料）。
2. 利用分子模擬（蒙地卡羅方法與分子動力學）研究孔洞材料的合成機制與材料特性。
3. 使用機器學習方法建立預測模型來決定合金耐蝕性的關鍵要素。
4. 發展鍵能模型並應用於抗腐蝕合金與合金氧化物上。
論文著作
- X. Guo, H.-L. Huang, M. Zhu, K. Hariharan, S.-C. Chien, N. Huynh, J. Hwang, W. Windl, C. D. Taylor, E. J. Schindelholz, G. S. Frankel, "Interstitial elements created via metal 3D printing", Mater. Today, 66, 92104 (2023)
- Q. Liu, S. G. Cho, J. Hilliard, T.‐Y. Wang, S.‐C. Chien, L.‐C. Lin, A. C. Co, C. R. Wade, "Inverse CO2/C2H2 Separation with MFU‐4 and Selectivity Reversal via Postsynthetic Ligand Exchange", Angew. Chem., 135, e202218854 (2023)
- W. Windl, S.-C. Chien, "Free‐Energy Parameterization and Thermodynamics in Si‐Ge‐Sn Alloys", Phys. Status Solidi (b), 259, 2100590 (2022)
- T. Li, S.-C. Chien, Z. Ren, W. Windl, F. Ernst and G. S. Frankel, "Understanding the Efficacy of Concentrated Interstitial Carbon in Enhancing the Pitting Corrosion Resistance of Stainless Steel." Acta Mater., 221, 117433 (2021)
- C. Nyby, X. Guo, J. Saal, S.-C. Chien, A. Y. Gerard, H. Ke, T. Li, P. Lu, C. Oberdorfer, S. Sahu, C. D. Taylor, W. Windl, J. R. Scully and G. S. Frankel, “Electrochemical Metrics for Corrosion Resistant Alloys ”, Sci. Data, 8, 58 (2021)
- S.-C. Chien and W Windl, “Bond Synergy Model for Bond Energies in Alloy Oxides”, J. Electrochem. Soc., just accepted (2020)
- T. J. Asel, W. L. B. Huey, B. Noesges, E. Molotokaite, S.-C. Chien, Y. Wang, A. Barnum, C. McPherson, S. Jiang, S. Shields, C. D’Andrea, W. Windl, E. Cinquanta, L. J. Brillson and J. E. Goldberger, “Influence of Surface Chemistry on Water Absorption in Functionalized Germanane”, Chem. Mater., 4, 1537-1544 (2020)
- J. S. Jamison, B. J. May, J. I. Deitz, S.-C. Chien, D. W. McComb, T. J. Grassman, W. Windl, and R. C. Myers, “Ferromagnetic Epitaxial μ-Fe2O3 on β-Ga2O3: A New Monoclinic form of Fe2O3”, Crystal Growth & Design, 19, 4205-4211 (2019)
- Y. Yu, S.-C. Chien, J. Sun, E. Hettiaratchy, R. Myers, L.-C. Lin, and Y. Wu “Excimer-Mediated Intermolecular Charge Transfer in Self-Assembled Donor-Acceptor Dyes on Metal Oxides”, J. Am. Chem. Soc., 141, 8727−8731 (2019)
- (*Contributed equally) Y. Yu*, K. A. Click*, S.-C. Chien*, J. Sun, A. Curtze, L.-C. Lin, and Y. Wu “Decoupling pH-Dependence of Flat-Band Potential in Aqueous Dye-Sensitized Electrodes”, J. Phys. Chem. C, 123 (14), 8681-8687 (2019)
- T. M. Mohona, A. Gupta, A. Masud, S.-C. Chien, L.-C. Lin, P. C. Nalam, and N. Aich “Aggregation Behavior of Inorganic 2D Nanomaterials Beyond Graphene: Insights from Molecular Simulations and Modified DLVO Theory”, Environ. Sci. Technol., 53 (8), 4161-4172 (2019)
- C. E. Bien, K. K. Chen, S.-C. Chien, B. R. Reiner, L.-C. Lin, C. R. Wade, W. S. W. Ho, “A Bioinspired Metal-Organic Framework for Trace CO2 Capture”, J. Am. Chem. Soc., 140, 12662-12666 (2018)
- S.-C. Chien, G. Pérez-Sánchez, J. R. B. Gomes, M. N. D. S. Cordeiro, M. Jorge, S. M. Auerbach and P. A. Monson, “Molecular Simulations of the Synthesis of Periodic Mesoporous Silica Phases at High Surfactant Concentrations”, J. Phys. Chem. C, 121, 4564-4575 (2017)