陳馨怡 助理教授 - 國立清華大學工程與系統科學系
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陳馨怡 助理教授

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姓名:陳馨怡助理教授
學歷:英國倫敦大學化學系博士
專長:材料電腦模擬
聯絡地址:工科舊館513室 
電話:(03) 5715131 ext.34248
E-mail:hsinyi.tiffany.chen@gapp.nthu.edu.tw
實驗室: ​​​能源材料計算模擬實驗室 

 

學歷

PhD, Chemistry University College London, London, UK
MSc, Materials Science and Engineering, National Taiwan University, Taipei, Taiwan
BEng (Honours), Resources Engineering, National Cheng Kung University, Tainan, Taiwan

 

經歷

義大利米蘭比可卡大學材料科學系 博士後研究員
中央研究院原子與分子科學研究所 研究助理
國立台灣大學材料科學與工程學系 助教

Publications

​22. Z. Li, K. H.-Y. T. Chen, Schouteden, P. Thomas, K. Houben, T.-W. Liao, C. Van Haesendonck, G. Pacchioni and P. Lievens and E. Janssens “Size-Dependent Penetration of Gold Nanoclusters through a Defect-Free, Nonporous NaCl Membrane, Nano Lett 16,. 3063-70 (2016). IF=13.779
21. H.-Y. T. Chen and G. Pacchioni “Role of Oxide Reducibility in the Deoxygenation of Phenol on Ruthenium Clusters Supported on the Anatase Titania (1 0 1) Surface, ChemCatChem 8, 2492-99 (2016). IF=4.724
20. H.-Y. T. Chen, S. Tosoni, G. Pacchioni “A DFT study of the acid-basic properties of anatase TiO2 and tetragonal ZrO2 by adsorption of CO and CO2 probe molecules” Surf. Sci. 652, 163-71 (2016). IF=1.925
19. S. Tosoni, H.-Y. T. Chen, G. Pacchioni “A DFT study of the reactivity of anatase TiO2 and tetragonal ZrO2 stepped surfaces compared to the regular (101) terraces” ChemPhysChem 16, 3642-51 (2015). IF=3.419
18. H.-Y. T. Chen, S. Livraghi, E. Giamello and G. Pacchioni “Mechanism of oligomerization of C2H2 on anatase TiO2 (101) and (001) surfaces and their chemical reduction: a combined Electron Paramagnetic Resonance and Density Functional Theory study” ChemPlusChem DOI: 10.1002/cplu.201500383 (2015). IF=3.242
17. H.-Y. T. Chen, C. Wang, X. Wu, C. R. A. Catlow and   J. Xiao “Iridicycle-catalyzed imine reduction: an experimental and computational study of the mechanism” Chem – Eur. J. 21, 16564-77 (2015). IF=5.731
16. H.-Y. T. Chen, S. Tosoni, G. Pacchioni “Hydrogen adsorption, dissociation, and spillover on Ru10 clusters supported on anatase TiO2 and tetragonal ZrO2 (101) surfaces” ACS catalysis 5, 5486-5495 (2015). IF=9.312
15. S. Tosoni, H.-Y. T. Chen, G. Pacchioni “A DFT study of Ni clusters depositionon titania and zirconia (101) surfaces” Surf Sci Doi:10.1016/j.susc.2015.04.004 (2015). IF=1. 876
14. Z. Li, H.-Y. T. Chen, K. Schouteden, K. Lauwaet, E. Janssens, C. Van Haesendonck, G. Pacchioni, and P. Lievens “Lateral manipulation of atomic vacancies in ultrathin insulating films” ACS Nano 9, 5318-5325 (2015). IF=13.334
13. Z. Li, H.-Y. T. Chen, K. Schouteden, E. Janssens, C. Van Haesendonck, P. Lievens, and G. Pacchioni “Spontaneous doping of two-dimensional NaCl films with Cr atoms: aggregation and electronic structure” Nanoscale 7, 2366-2373 (2015). IF=7.760
12. H.-Y. T. Chen, S. Tosoni, G. Pacchioni “Adsorption of Ruthenium Atoms and Clusters on Anatase TiO2 and Tetragonal ZrO2(101) Surfaces: A Comparative DFT Study” J. Phys. Chem. C 119, 10856−10868 (2015). IF=4.835
11. H.-Y. T. Chen and G. Pacchioni “Properties of two-dimensional insulators: a DFT study of Co adsorption on NaCl and MgO ultrathin films” Phys. Chem. Chem. Phys. 16, 21838-45 (2014). IF=4.198
10. H.-Y. T. Chen, L. Giordano, G. Pacchioni “Adsorption properties of two-dimensional NaCl: a DFT study of the interaction of Co, Ag, and Au atoms with NaCl/Au(111) ultrathin films” J. Phys. Chem. C 118, 12353-12363 (2014). IF=4.835
9. Z. Li, H.-Y. T. Chen, K. Schouteden, K. Lauwaet, L. Giordano, M. I. Trioni, E. Janssens, V. Iancu, C. Van Haesendonck, P. Lievens, and G. Pacchioni “Self-doping of ultrathin insulating films by transition metal atoms” Phys. Rev. Lett. 112, 026102 (2014). IF=7.728
8. H.-Y. T. Chen, L. Giordano, G. Pacchioni “From heterolytic to homolytic H2 dissociation on nanostructured MgO(001) films as a function of the metal support” J. Phys. Chem. C  117, 10623-10629 (2013). IF=4.835
7. G. Pacchioni, L. Giordano, H.-Y. T. Chen, and S. Prada, “Unusual chemistry of oxides at the nanoscale”, Abstracts of Papers of the American Chemical Society, 246, Amer. Chem. Soc., Sep (2013).
6. C. Wang, H.-Y. T. Chen, J. Bacsa, C. R. A. Catlow and J. Xiao “Synthesis and X-ray structures of cyclometalated iridium complexes including the hydrides” Dalton T. 42, 935–940 (2013). IF=4.097
5. H.-Y. T. Chen, D. Di Tommaso, G. Hogarth, and C. R. A. Catlow “The effects of ligand variation on enantioselectivity hydrogenation catalysis by Ru(H)2(diphosphine)(amine) complexes” Dalton T. 41, 1867–1877 (2012). IF=4.097
4. H.-Y. T. Chen, D. Di Tommaso, G. Hogarth, and C. R. A. Catlow “Correlating enantioselectivity with activation energies in the asymmetric hydrogenation of acetophenone catalysed by Noyori-type complexes” Catal. Lett. 141, 1761–1766 (2011). IF=2.291
3. H.-Y. T. Chen, D. Di Tommaso, G. Hogarth, and C. R. A. Catlow “trans-FeII(H)2(diphosphine)(diamine) complexes as alternative catalysts for the hydrogenation of ketones? A DFT study” Dalton T. 40, 402–412 (2011) — hot article. IF=4.097
2. J. P. Chou, H.-Y. T. Chen, C. R. Hsing, C. M. Chang, C. Cheng, and C. M. Wei “13-atom metallic clusters studied by density functional theory: Dependence on exchange-correlation approximations and pseudopotentials” Phys. Rev. B 80, 165412–165419 (2009). IF=3.736
1. H.-Y. T. Chen, W. C. J. Wei, K. C. Hsu, C. S. Chen “Adsorption of Polyacrylic Acid (PAA) 
on (0001) α-Al2O3 surface” J. Am. Ceram. Soc. 90, 1709–1716 (2007). IF=2.428, 1/25
 
若有意願加入能源材料模擬實驗室(高中專題研究、大學專題研究、碩士、博士、博士後),歡迎隨時Email至 hsinyi.chen@mx.nthu.edu.tw

Recruiting a PhD student​ (from 2017 Sep)​ ​for a joint​ ​project, "DFT computational investigation into perovskite oxide catalysts" with Dr Matthew Dyer in ​University​ of ​Liverpool ​

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