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林志興(Lin, Jyh-Shing)

物理化學、化學數學


淡江大學化學系教授(2004/8~迄今)
淡江大學化學系主任(2011.08-2015.07
淡江大學化學系副教授(
1995/8-2004/7
英國劍橋大學卡文狄西實驗室博士後研究(
1995/1-1995/8
英國皇家學院大維法拉第實驗室博士後研究(
1992/1-1994/12
英國劍橋大學卡文狄西實驗室博士後研究(
1990/1-1991/12
美國新墨西哥大學理論化學博士(
1985/1-1989/12
淡江大學化學系學士(
1976/9-1980/6

Tamkang University, Professor(2004/8~Now)
Chemistry Department, Chairman(2011/8~2015/7)
Tamkang University, Associate Professor(1995/8-2004/7)
Univ. of Cambridge(U.K.), Cavendish Laboratory(TCM)Post
Doc. Research associate(1994/1-1995/8)
Davy Faraday Laboratory, The Royal Institution of Great Britain Post
Doc. Research associate(1992/1-1994/12)
Univ. of Cambridge(U.K.), Cavendish Laboratory(TCM)Post
Doc. Research associate(1990/1-1991/12)
University of New Mexico Ph. D in Chemistry(1985/1-1989/12)
Tamkang University, B. S.(1976/9-1980/6)


林志興



Email address
jsl@mail.tku.edu.tw

研究專長及興趣

1)固態材料表面化學反應與振動/拉曼光譜的量子電腦模擬

    量子電腦模擬目前已經成熟到可以利用來探討分子在固態材料表面的反應機制與其振動光譜. 我們研究室結合密度泛函理論(Density Functional Theory),膺勢(Ultrasoft Pseudopotential and Norm-Conserving Pseudopotential)近似法, 平面波 (Plane wave basis sets) 基底函數的展開來計算系統總能量總能量, 再配合態密度 (Density of States )分析 和 部分結構限制能量最佳化 (Partial Structural Constraint Minimization method ) 近似方法, 第一原理分子動態模擬結合時間相關函數來探討 a) 有機分子在半導體表面化學氣相沉積 (Chemical Vapor Deposition) 而自我組裝 (Self Assembly) 成有機薄模的反應機制, b) 金屬表面中利用Fisher-Tropsch process合成反應的熱力學與動力學的研究, c) 燃料電池 (Fuel Cell)中乙醇”在過渡金屬/氧化物”表面催化反應產生H2CO2的反應機制研究,d) 太陽能電池 (Solar Cell) 中二氧化鈦(TiO2)奈米晶粒 (Nanocrystalline) 與其吸附InN量子點 (Quantum Dot)DSSC (Dye-sensitized solar cell)敏化染料之間的電子轉移的機制, e)固態材料表面吸附分子的振動與拉曼光譜 (Vibrational Spectroscopy and Raman Spectroscopy ) f)表面增強拉曼光譜 (Surface Enhanced Raman Spectroscopy)的強度增強機制。

2)雲端奈米材料資訊 (Clouding Nanomaterial Informatics) 

    由於包括繪圖,資料庫 與網路雲端等資訊工具的不斷日新月異, 使得它們對化學資料(包括實驗的數據, 分子的結構, 理論的陳述) 的呈現,組合與分析管理提供了更多元的面向. 我們的研究室結合 網頁設計 (HTML), 三度空間繪圖程式設計 (Java), 資料庫整合管理 (JavaScript, PHP/MySQL and JDBC) 與 網路雲端通訊 (Perl/CGI, HTTP/TCP and JSP)等技術讓以上量子電腦模擬計算數據以面目一新的方式來呈現. 另外我們也利用雲端網路來建立了所謂的量子電腦模擬自動化模組 (Quantum Simulation App)與數據擷取分析自動化模組(Data Mining App)來提供奈米材料量子電腦模擬與分析的新平台. 

近年代表性著作

 

1) Shao-Yu Lu and Jyh Shing Lin* “Ab-initio molecular dynamics study for C-Br dissociation within BrH2C-CC(ads) adsorbed on Ag(111) surface:  A short-time Fourier transform approach”Res Chem Intermed, (2016) (In press). (SCI: IF=1.194)

2) Yung-Ting Li and Jyh Shing Lin* “A novel theoretical study of thermally-induced reaction and vibration dynamics of methanol dissociative adsorption onto Si(001) surface”RSC Adv., 2016, 6, 1491. (SCI: IF=3.907) (Citation Number = 0 ).

3) Shao-Yu Lu and Jyh Shing Lin* “A nano Ag5 cluster tip probing the vertical transfer of CO(ads) adsorbed on Ag(110) with simulated inelastic electron tunneling spectroscopy” RSC Adv., 2015, 5, 64682. (SCI: IF=3.907) (Citation Number = 0)

4) Jen-Ping Su and Jyh Shing Lin* “ Simulated SERS spectra of 4,4′-bipyridine/ gold single molecule junction in different conductance states: ab initio molecular dynamics approach” Res Chem Intermed, 2014, 40, 2287. (SCI: IF= 1.194) (Citation Number = 0)

 

5) Shao-Yu Lu and Jyh Shing Lin* “Temperature effects on adsorption and diffusion dynamics of CH3CH2(ads) and H3C–C≡C(ads) on Ag(111) surface and their self-coupling reactions: Ab initio molecular dynamics approach” Journal of chemical physics 140, 024706 (2014). (SCI: IF 3.164) 

 

6) Jen-Ping Su, Yung-Ting Lee, Shao-Yu Lu and Jyh Shing Lin*  Chemical mechanism of surface-enhanced Raman scattering spectrum of pyridine adsorbed on Ag cluster: Ab initio molecular dynamics approach” Journal of computational chemistry 34, 2806-2815 (2013). (SCI: IF 4.583) (Highlighted in the Journal Inside Cover)

 

7) Yung-Ting Li and Jyh Shing Lin,* “Ab Initio Molecular Dynamics Study of Ethylene Adsorption onto Si(001) Surface: Short-time Fourier Transform Analysis of Structural Coordinate Autocorrelation Function” Journal of computational chemistry 36, 2697-2706 (2013) (SCI: IF 4.583). (Highlighted in the Journal Inside Cover)

 

8) Jyh Shing Lin*, Shao-Yu Lu, Po-Jung Tseng and Wen-Chi Chou,”Temperature dependence of vibrational modes of CH3-C≡C(ads) and I(ads) coadsorbed on Ag(111): Ab initio molecular dynamics approach” Journal of Computational Chemistry 33, 1274-1283 (2012) (Highlighted in the Journal Cover). (SCI:IF=4.583)

 

9) Jyh Shing Lin*, Shao-Yu Lu, and Wen-Chi Chou,”DFT Study of self-coupling reaction of CF2(ads) coadsorbed on Cu(111) surface for forming CF2=CF2(g)Surface Science 605, 131-137 (2011). (SCI: IF=2.01)

 

10) Jyh Shing Lin(*) and Wen-Chi Chou “DFT Study of Selective-Fluoride Elimination of adsorbed CF3(ads) on both Ag(111) and Cu(111) surfaces” J. Phys. Chem. C 112, 768-773 (2008).

 

11) Jyh Shing Lin,(*) Wen-Chi Chou,(*) Shao-Yu Lu, Geng-Jya Jang, Bo-Rong Tseng, and Yung-Ting Li “Density Functional Study of the Interfacial Electron Transfer Pathway for Monolayer-Adsorbed InN on the TiO2 Anatase (101) Surface” J. Phys. Chem. B 110 23460-23466 (2006).

 

12) Yang-hsin Shih*, Jyh Shing Lin, Shian-cheeWu, and Lien-feng Lee, “Molecular Dynamics Simulations of the Sorption of Toluene in A Dry Humic Acid Model: A Preliminary Study”, Colloids and Surfaces A: Physicochemical and Engineering Aspects , 275 183-186 (2006).

 

13) Yang-Hsin  Shih(*), Shian-chee Wu, Jyh Shing Lin, and Lien-feng Lee,“Sorption Kinetics of Toluene in Humic Acid: A Computational Approach” Environmental Toxicology and Chemistry, 25 305-309 (2006).

 

14) Jyh Shing Lin(*) and Wien Chi Chou “DFT study of Surface Reactivity of CX3I (X=H and F) with CH2I2 to form CH2=CX2 on the Ag(111) surface” International Journal of Quantum Chemistry 102, 858-865 (2005)

 

 15) Jyh Shing Lin(*) and Lien Feng Lee “ Density Functonal Study of XH4 (X =Si and Ge) Reactivity upon Dissociative Adsorption onto Si(100) Surface” International Journal of Quantum Chemistry 97 736-746 (2004).

 

16) Jyh Shing Lin(*) and Wien Chi Chou “DFT Study of the Formation of CH2=CF2 through both Methylene Insertion and b-Fluoride Elimination on the Ag(111) Surface” Surface Review and Letter  11, 229-234 (2004).

 

17) Jyh Shing Lin(*) and Wien Chi Chou “The Dependence of Dynamic Variables on Gas-Surface Reactivity during Direct Dissociative Adsorption of GeH4 onto Ge(001) surface” Surface Science 560, 79-87 ( 2004).

 

18) Jyh Shing Lin(*) and Wien Chi Chou “ Density Functional Study of Gas-Surface Reactivity: GeH4 Dissociative Adsorption onto Semiconductor Surfaces” Journal of Molecular Structure: Theochem 635, 115-124 (2003)

 

19) Jyh Shing Lin(*), Lien Feng Lee and Wien Chi Chou “Density Functional Study of the Effect of SiH4/GeH4 and Si(001)/Ge(001) on Gas-Surface Reactivity during Initial Dissociative Adsorption” Journal of Chinese Chemical Society, 50, 611-620 (2003).

 

20) Jyh Shing Lin(*), Ji. Cheng Chen, Yu. Tzu Kuo and Ming-Hsien Lee “Total Energy Calculations for Silane Dissociative Chemisorption onto Si(100) and Si(111) Surfaces” J. Chin. Chem Soc. 47, 887-894 (2000)

 

21) Jyh Shing Lin(*), and Yu Tzu Kuo “Density Functional Study of Silane adsorption onto Si(100)  surface” Thin Solid Film 370, 192-198 (2000).

 

22) Jyh Shing Lin(*), Ji. Cheng Chen, Ming-Hsien Lee, Kuo-Hwa Lee and Yu Tzu Kuo “Density Functional Study of Structural and Electronic Properties of Silane adsorbed Si(100) Surface” Journal of Molecular Structure: Theochem 496, 163-173 (2000)

 

23) Chris J.Pickard, Bjorn Wrinkler, Roger K. Chen, M. C. Payne, M. H. Lee, Jyh Shing Lin, J. A. White, V. Milman and David Vandebilt “ Structural Properties of Lanthanide and antinide containing compounds within the planewave pseudopotential approach” Phys. Rev. Lett. 85, 5122-5125 (2000).

 

24) Meng Shan Lin(*), Bor Iuan Jan, Hoang-Jyh Leu and Jyh Shing Lin “ Trace Measurement of Dithiocarbamate Based Pesticcide by Adsorptive  Stripping Voltammetry ” Analytical Chimica Acta. 388, 111-117 (1999).

 

 

研討會論文

1) Jyh Shing Lin, Ji Cheng Chen, Yu Tzu Kuo, Ming Hsien Lee and Kuo Wha Lee “ First Principle calculation of Silane adsorption onto Si(100)-(2x1) surface” First International Conference on Inorganic Materials 1998. .

2) Jyh Shing Lin “ Ab Initio Study of Silane Adsorption and Hydrogen Desorption on Si(100) surface”, 2nd International Symposium on Electronic and Atomic Structures (ISEAS-2) (Dec. 1999).

3) Jyh Shing Lin “Density Functional Study of Structural and Electronic Properties of Silane adsorbed Si(100) surface” Tamkang Symposium in Frontier of Chemistry series-1999 -Molecular Modelling and Material Chemistry.

4) Jyh Shing Lin and Lien Feng Lee “Computer Modeling Study of the Interactions among Polymer, Molecule and Ion” Solid State Chemistry 2000 (SSC2000) (Sep. 2000).

5) Jyh Shing Lin “ Computer Modeling CVD of SiH4 for Si thin film growth and ionic conductivity of solid polymer electrolytes” Tamkang Symposium in Frontier of Chemistry series-2000-Computational Chemistry and Molecular modeling.

6) 林志興, 李連峰高分子電解質之導電與結構特性中國化學會年會 (Nov. 2000).

7) 林志興高分子電解質之分子動態模擬2001年尖端化學系列理論化學研討會 ( June 2001)

8) 林志興, 李連峰 周文祺 “Density Functional Study of Reactivity of SiH4 and GeH4 Dissociative Adsorption on Si(100) surface” 中國化學會年會 (Oct. 2002).

9) 林志興, 李連峰 周文祺 “Density Functional Study of the effect of SiH4/GeH4 and Si(001)/Ge(001) on Gas-Surface reactivity during Initial Dissociative Adsorption” The Second Worldwide Chinese Theoretical and Computational Chemistry Conference (Sep. 2002)

10) 林志興, 周文祺 “Density Functional Studies of CF3X (X=Cl, I) dissociative chemisorption onto Si(100) surface” 中國化學會年會 (Nov. 2003).

11) 林志興, 周文祺 “DFT Study of the formation of CH2=CF2 through the Fischer-Tropsch process on Ag(111) surface” 中國化學會年會 (Nov. 2003).

12) Jyh Shing Lin and Wen-Chi Chou “DFT Study of the Formation of CH2=CF2 through Fischer-Tropsch Process on the Ag(111) Surface” 美國佛羅里達州『第四十四屆Sanibel學術研討會(Feb. 2004).

13) Jyh Shing Lin and Wen-Chi Chou “DFT study of Surface Reactivity of CX3I (X=H and I) with CH2I2 to Form CH2=CX2 on the Ag(111) surface” 中國化學會年會 (Nov. 2004).

14) Jyh Shing Lin and Wen-Chi Chou “DFT study of Surface Reactivity of CX3I (X=H and I) with CH2I2 to Form CH2=CX2 on the Ag(111) surface” 美國加州 Gordon Research Conference on Chemical Reactions at surfaces(Feb. 2005).

15) Jyh Shing Lin,* Wen-Chi Chou,*,Shao-Yu Lu, Geng-Jya Jang, Bo-Rong Tseng, and

Yung-Ting Li Density Functional Study of the Interfacial Electron Transfer Pathway for Monolayer-Adsorbed InN on the TiO2 Anatase (101) SurfaceDFTEM 2006 Conference (Apr. 2006)

16) Jyh Shing Lin, Wen-Chi Chou and Y. T. Lee “Theoretical Studies of DEsorption of Tert-butylacetylacetate on the Si(100) surface” 阿姆斯特丹 荷蘭 12th International Conference on the application of Density Functional Theory in Physics and Chemistry(Aug. 2007).

17) Jyh Shing Lin and Shao-Yu Lu “ DFT study of the reaction mechanism of the formation of CF2=CF2 from the adsorbed CF3(ads) on the Cu(111) surface” The 2nd Cross-strait Theoretical and Computational chemistry Conference (CTCC-2)Academia Sinica, Taipei, Taiwan. (April 2008) (Invited Talk)

 

其他

Coauthor of Optimized pseudopotential data base for CASTEP code of Cerius2 from MSI (now is Accelrys).(1995-now)

Coauthor of Ultrasoft pseudopotential data base for CASTEP code of Cerius2 from MSI (now is Accelrys).(1999-now)

JPowerChem V1.2 Molecular Editor and Viewer in Java. (2002)

互動式Simple Huckel 計算程式 in Java. (2003)