林森（教授）檢視原始碼討論檢視歷史
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林森，男，福州大學化學學院教授。
人物簡歷
教育工作經歷
2002-2006：四川大學化學學院，化學，本科
2006-2011：南京大學化學化工學院，物理化學，博士，導師：謝代前教授
2009-2010：美國新墨西哥大學化學系，訪問學者，合作導師：Hua Guo
2011.6-2014.6：福州大學光催化研究所，講師，碩導
2014.7-2019.6：福州大學光催化研究所，能源與環境光催化國家重點實驗室，副教授
2017.9-2018.9: 美國新墨西哥大學化學系, 訪問學者，合作導師：Hua Guo
2019.7-至今：福州大學光催化研究所，能源與環境光催化國家重點實驗室，教授，博導
研究方向
教學簡介
《能源及環境催化材料前沿及產業》（福州大學精品課程）
《物理化學實驗（一）、（二）》
《光催化劑製備與表徵》
科研項目
國家自然科學基金面上項目（21973013, 2020-2023）
國家自然科學基金面上項目（21673040, 2017-2020）
福建省「雛鷹計劃」青年拔尖人才項目
福建省自然科學基金重點項目（2020J02025,2020-2023）
國家自然科學基金青年項目（21203026, 2013-2015)
省部共建國家重點實驗室課題（2017-2020）
「旗山學者「經費資助 （2017-2020）
福建省自然科學基金面上項目（2016J01052,2016-2019）
教育部博士點專項科研基金（20123514120001, 2013-2015）
福建省自然科學基金青年項目（2012J05022, 2012-2014)
福州大學科技發展基金
福州大學科研啟動基金
獲獎情況
兩次獲得福建省優秀碩士畢業論文指導教師獎
入選2017年度「旗山學者」獎勵支持計劃
2017年獲「鴻耀獎教獎」
2020年獲"福能獎教獎」
2021年入選福建省「雛鷹計劃」青年拔尖人才
學術成果
2021:
5. Feiteng Wang, Wenbo Xie, Lijun Yang, Daiqian Xie,Sen Lin*, Revealing the Importance of Kinetics in N-Coordinated Dual-Metal Sites Catalyzed Oxygen Reduction Reaction, J. Catal., 2021, accepted.
4. Zhi-Wen Wang, Qiang Wan, Shu-Ying Zhu, Sen Lin*and Ling Wu*et al., Selective Photocatalytic Reduction CO2to CH4on Ultrathin TiO2Nanosheet via Coordination Activation, Appl. Catal B, 2021, accepted.
3. Jiamin Qi, Shulan Zhou*, Ke Xie,Sen Lin*, Catalytic Role of Assembled Ce Lewis Acid Sites over Ceria for Electrocatalytic Conversion of Dinitrogen to Ammonia,J. Energy. Chem., 2021, 60, 249-258.
2. Bingqing Ge, Sen Lin*, Pei Yuan* et al., Zirconium promoter effect on catalytic activity of Pd based catalysts for heterogeneous hydrogenation of nitrile butadiene rubber, Appl. Surf. Sci., 2021, 539, 148212.
1. Chong Wang, Qiang Wan, Jiajia Cheng*,Sen Lin, Xinchen Wang* et al., Efficient aerobic oxidation of alcohols to esters by acidified carbon nitride photocatalysts，J. Catal., 2021, 393, 116.
2020:
13. Junkang Xu, Qiang Wan, Zhonghui Wang, Sen Lin*, Band Structure Engineering of Fluorine-Passivated Graphdiyne Nanoribbons via Doping with BN Pairs for Overall Photocatalytic Water Splitting, Phys. Chem. Chem. Phys., 2020, accepted.
12. Xuefei Zhang, Pengqiang Yan, Junkang Xu, Fan Li, Felix Herold, Bastian J. M. Etzold, Peng Wang, Dang Sheng Su, Sen Lin*, Wei Qi*, and Zailai Xie*, Methanol conversion on borocarbonitride catalysts: Identification and quantification of active sites, Sci. Adv., 6, 26, eaba5778.
11. Yang Chen, Yingxin Feng（co-first author）, Lin Li, Jingyue Liu, Xiaoli Pan, Wei Liu, Fenfei Wei, Yitao Cui, Botao Qiao, Xiucheng Sun, Xiaoyu Li, Jian Lin*,Sen Lin,* Xiaodong Wang,* and Tao Zhang, Identification of active sites on high-performance Pt/Al2O3 catalyst for cryogenic CO oxidation, ACS Catal., 2020, accepted.
10. Feiteng Wang, Yipeng Zhou, Lijun Yang*, Sen Lin, Zheng Hu, Daiqian Xie, Axial Ligand Effect on the Stability of Fe-N-C Electrocatalysts for Acidic Oxygen Reduction Reaction, Nano Energy, 2020, in press.
9. Yuanxing Fang, Ivan S. Merenkov*, Xiaochun Li, Junkang Xu, Sen Lin, Marina L. Kosinovaс and Xinchen Wang*, Vertically Aligned 2D Carbon Doped Boron Nitride Nanofilms for Photoelectrochemical Water Oxidation, J. Mater. Chem. A, 2020, in press.
7. Yanliang Zhou, Fenfei Wei（co-first author）, Jian Lin*, Lin Li, Xiaoyu Li, Haifeng Qi, Xiaoli Pan, Xiaoyan Liu, Chuande Huang, Sen Lin*, Xiaodong Wang*, Sulfate modified NiAl mixed oxides as effective C-H bond breaking agents for the sole production of ethylene from ethane, ACS Catal., 2020, 10, 7619−7629.
6.Fenfei Wei, Qiang Wan, Sen Lin*, and Hua Guo*, On the Origin of Confined Catalysis in Nanoscale Reactors between Two-Dimensional Covers and Metal Substrates: Mechanical or Electronic?J. Phys. Chem. C, 2020, 124, 21, 11564–11573
5. Linghui Lin, Sen Lin* et al., Ru–Polyoxometalate as a Single-Atom Electrocatalyst for N2 Reduction to NH3 with High Selectivity under Applied Voltage: Perspective from DFT Studies, Phys. Chem. Chem. Phys., 2020, 22, 7234-7240. (2020 PCCP HOT Article)
4. Qin Yang, Yi Jia, Fenfei Wei, Linzhou Zhuang, Dongjiang Yang, Jizi Liu, Xin Wang, Sen Lin, Pei Yuan*, Xiangdong Yao*, Understanding the Activity of Co-N4-xCx in Atomic Metal Catalysts for Oxygen Reduction Catalysis Angew. Chem. Int. Ed., 2020, DOI: 10.1002/anie.202000324.
3. Junkang Xu, Qiang Wan, Masakazu Anpo,Sen Lin*, Band Gap Opening of Graphdiyne Monolayer via B, N-Codoping for Photocatalytic Overall Water Splitting: Design Strategy from DFT Studies, J. Phys. Chem. C, 2020, 124, 12, 6624-6633.
2. Qiang Wan, Victor Fung, Sen Lin, Zili Wu, and De-en Jiang*, Perovskite-supported Pt single atoms for methane activation, J. Mater. Chem. A, 2020, 8, 4362.
1. Christopher Riley, Shulan Zhou*, Sen Lin, Hua Guo, Abhaya Datye* et al., Environmentally Benign Synthesis of a PGM-Free Catalyst for Low Temperature CO Oxidation, Appl. Catal B, 2020, 264, 118547.
2019:
1.Qiang Wan, Fenfei Wei, Zuju Ma,* Masakazu Anpo, and Sen Lin*.Novel Porous Boron Nitride Nanosheet with Carbon Doping: Potential Metal-Free Photocatalyst for Visible-Light- Driven Overall Water Splitting.Adv. Theory Simul. 2019, 1800174.(cover article) (PDF)
2.Christopher Riley, Andew De La Riva, Shulan Zhou, Qiang Wan, Eric Peterson, Kateryna Artyushkova, Majid Farahani, Holger Friedrich,Sen Lin, Hua Guo, Laura Burkemper, Nicu-Viorel Atudorei, Abhaya Datye*,Synthesis of Nickel‐Doped Ceria Catalysts for Selective Acetylene Hydrogenation,ChemCatChem, 2019, https://doi.org/10.1002/cctc.201801976.
3.Deepak Kunwar, Shulan Zhou, Andrew DeLaRiva, Eric J. Peterson, Haifeng Xiong, Xavier Isidro Pereira Hernández, Stephen C. Purdy, Rik ter Veen, Hidde H. Brongersma, Jeffery T. Miller, Hiroki Hashiguchi, Libor Kovarik,Sen Lin*, Hua Guo, Yong Wang*, and Abhaya K. Datye*,Stabilizing High Metal Loadings of Thermally Stable Platinum Single Atoms on an Industrial Catalyst Support,ACS Catal, 2019,9，3978-3990. (cover article)
4.Shulan Zhou*, Liye Gao, Fenfei Wei,Sen Lin*, Hua Guo*, On the Mechanism of Alkyne Hydrogenation Catalyzed by Ga-doped Ceria,J. Catal., 2019, 375, 410-418.
5. Liye Gao, Feiteng Wang, Ming-an Yu, Fenfei Wei, Jiamin Qi,Sen Lin*and Daiqian Xie*, A Novel Phosphotungstic Acid-Supported Single Metal Atom Catalyst with High Activity and Selectivity for the Synthesis of NH3from Electrochemical N2Reduction: A DFT Prediction,J. Mater. Chem. A, 2019,7, 19838 - 1984
6.Fangsong Guo, Shanrong Li, Yidong Hou, Junkang Xu,Sen Linand Xinchen Wang*, Metalated carbon nitrides as base catalysts for efficient catalytic hydrolysis of carbonyl sulfide,Chem. Commun., 2019, doi.org/10.1039/C9CC06246G.
7.Qiang Wan, Junkang Xu,Sen Lin*, "Current Developments in Photocatalysis and Photocatalytic Materials: New Horizons in Photocatalysis"，Chapter 30,Elsevier, 2019.
8.Jiamin Qi, Liye Gao, Fenfei Wei, Qiang Wan,Sen Lin*,Design of a High-Performance Electrocatalyst for N2 Conversion to NH3 by Trapping Single Metal Atoms on Stepped CeO2,ACS Appl. Mater. Interfaces, 2019, 11, 47525-47534.
2018：
1. Yingxin Feng, Linsen Zhou, Qiang Wan, Sen Lin* and Hua Guo*, Selective Hydrogenation of 1, 3-Butadiene Catalyzed by A Single Pd Atom Anchored on Graphene: The Importance of Dynamics.Chem. Sci, 2018, 9,5890. (HOT article and back cover ) (PDF)
2. Christopher Riley, Shulan Zhou, Deepak Kunwar, Andrew De La Riva, Eric Peterson, Robin Payne, Liye Gao,Sen Lin,* Hua Guo,* and Abhaya Datye*, Design of Effective Catalysts for Selective Alkyne Hydrogenation by Doping of Ceria with a Single-Atom Promotor, J. Am. Chem. Soc., 2018, 140, 12964−12973. (PDF 3. Shulan Zhou*,Sen Lin, and Hua Guo*. First-Principles Insights into Ammonia Decomposition Catalyzed by Ru Clusters Anchored on Carbon Nanotubes: Size Dependence and Interfacial Effects.J. Phys. Chem. C, 2018, 122(16): 9091-9100. (PDF)
4.Ming-an Yu,Yingxin Feng, LiYe Gao andSen Lin*. Phosphomolybdic Acid Supported Single-Metal-Atom Catalysis in CO Oxidation: First-Principles Calculations.Phys.Chem. Chem. Phys., 2018, 20, 20661--20668. (PDF)
5. Qiang Wan, Fenfei Wei, Yingqi Wang, Feiteng Wang, Linsen Zhou, Sen Lin*,Daiqian Xie*and Hua Guo*, Single Atom Detachment from Cu Clusters, Diffusion and Trapping on CeO2(111): Implications in Ostwald Ripening and Atomic Redispersion.Nanoscale, 2018, 10,17893-17901. (PDF)
6. Yingxin Feng, Qiang Wan, Haifeng Xiong*, Shulan Zhou, Xun Chen, Xavier Isidro Pereira Hernandez, Yong Wang,Sen Lin*, Abhaya K. Datye*, and Hua Guo*, Correlating DFT Calculations with CO Oxidation Reactivity on Ga-doped Pt/CeO2 Single Atom Catalysts,J. Phys. Chem. C,2018, 122, 22460-22468. (PDF)
7. Dandan Ma, Xuefen Tian, Lifen Guo, Jie Mou,Sen Lin*, and Jianyi Ma*, Activation of Reactions in the Complex Region Using Microwave Irradiation,J. Phys. Chem. A, 2018, 122, 7540−7547. (PDF)
2017：
1. Haifeng Xiong, Sen Lin*, Joris Goetze, Paul D Pletcher, Libor Kovarik, Kateryna Artyushkova, Hua Guo, Bert Weckhuysen, Abhaya Datye*, Thermally Stable and Regenerable Pt-Sn Clusters for Propane Dehydrogenation Prepared via Atom Trapping on Ceria,Angew. Chem. Int. Ed, 2017,56, 8986-8991. (PDF)
2. Shujiao Wang, Yingxin Feng, Sen Lin*, Hua Guo，Phosphomolybdic acid supported atomically dispersed transition metal atoms (M = Fe, Co, Ni, Cu, Ru, Rh, Pd, Ag, Os, Ir, Pt, and Au): stable single atom catalysts studied by density functional theory，RSC Adv.,2017, 7, 24925. (PDF)
3. Shujiao Wang, Yingxin Feng, Ming』an Yu, Qiang Wan, and Sen Lin*，Confined Catalysis in the g-C3N4/Pt (111) Interface: Feasible Molecule Intercalation, Tunable Molecule–Metal Interaction, and Enhanced Reaction Activity of CO Oxidation[J].ACS Appl. Mater. Interfaces, 2017, 9(38): 33267-33273. (PDF)
4. ZuoliHe, ChuhyungKim, Lihua Lin, TaeHwaJeon,Sen Lin, XinchenWang*, WonyongChoi*. Formation of heterostructures via direct growth CN on h-BN porous nanosheets for metal-free photocatalysis.Nano Energy, 2017, 42: 58-68. (PDF)
5.Yujie Song, Hao Wang, Xiaomei Gao, Yingxin Feng, Shijing Liang*, Jinhong Bi,Sen Lin*, Xianzhi Fu, and Ling Wu*, A Pd/Monolayer Titanate Nanosheet with Surface Synergetic Effects for Precise Synthesis of Cyclohexanones, ACS Catal., 2017, 7 (12), 8664–8674. (PDF)
2016：
1. Xiaomei Gao, Shujiao Wang, Sen Lin*，Defective hexagonal boron nitride nanosheet on Ni(111) and Cu(111): stability, electronic structures, and potential applications，ACS Appl. Mater. Interfaces, 2016, 8, 24238–24247.
2. Can Yang,Beatriz Chiyin Ma,Linzhu Zhang,Sen Lin,Saman Ghasimi,Katharina Landfester,Kai A. I. Zhang,Xinchen Wang*,Molecular Engineering of Conjugated Polybenzothiadiazoles for Enhanced Hydrogen Production by Photosynthesis, Angew. Chem. Int. Ed, 2016,55,9202 –9206.
3. Zhiping Song,Tianran Lin,Lihua Lin,Sen Lin,Fengfu Fu,Xinchen Wang*, Liangqia Guo*, Invisible Security Ink Based on Water-Soluble Graphitic Carbon Nitride Quantum Dots,Angew. Chem. Int. Ed, 2016,128,2823 –2827.
4. Guigang Zhang, Zhi-An Lan, Lihua Lin, Sen Lin and Xinchen Wang*,Overall water splitting by Pt/g-C3N4 photocatalysts without using sacricial agents,Chem. Sci., 2016,7,3062.
2015：
11.Wenjie Fan, Jinli Hu, Jing Huang, Xin Wu, Sen Lin*, Caijin Huang, Xiaoqing Qiu*, Electronic structure and photocatalytic activities of (Bi2?δYδ)Sn2O7 solid solution,Applied Surface Science, 2015, 357，2364–2371.
10.Lin, S*; Ye, XX; Huang, J; Gao, XM, Mechanistic insight into the water photooxidation on pure and sulfur-doped g-C3N4 photocatalysts from DFT calculations with dispersion corrections.J. Mol. Catal. A: Chem., 2015, 406, 137-144. (Editor’s choice paper)
9. Jiang, B;Hu, XX; Lin, S; Xie, DQ; Guo, H, Six-dimensional quantum dynamics of dissociative chemisorption of H2 on Co(0001) on an accurate global potential energy surface.Phys. Chem. Chem. Phys., 2015,17, 23346-23355.
8. Lin, S*; Huang, J; Gao, XM, A Cu(111) supported h-BN nanosheet: a potential low-cost and high-performance catalyst for CO oxidation,Phys. Chem. Chem. Phys., 2015, 17, 22097-22105.
7. Huang, CJ et al., Carbon-doped BN nanosheets for metal-free photoredox catalysis,Nature Communications, 2015, 6:7698.
6. Fang, ZB; Weng, SX; Ye, XX; Feng, WH; Zheng, ZY; Lu, ML; Lin, S*; Fu, XZ*; Liu, P*,Defect Engineering and Phase Junction Architecture of Wide-Bandgap ZnS for Conflicting Visible Light Activity in Photocatalytic H2 Evolution,ACS Appl. Mater. Interfaces, 2015, 7, 13915–13924.
5. Zuyang Zheng, Zhibin Fang, Xinxin Ye, Xiaobin Yao, Xianzhi Fu, Sen Lin*, and Ping Liu*, A Visualized Probe Method for Localization of Surface Oxygen Vacancy on TiO2: Au in-situ Reduction,Nanoscale, 2015, 7, 17488-17495.
4. Lin, S*; Guo, H et al., Theoretical Insight into the Reaction Mechanism of Ethanol Steam Reforming on Co(0001),J. Phys. Chem. C, 2015, 119, 2680–2691.
3. Lin, S*; Ye, XX, Huang, J, Can Metal-Free Silicon-Doped Hexagonal Boron Nitride Nanosheet and Nanotube Exhibit Activity toward CO Oxidation?Phys. Chem. Chem. Phys., 2015,17, 888-895.
2. Wen, SX; Ye, XX; Lin, S*; Liu, P* et al., In situ photogenerated defects on surface-complex BiOCl (0 1 0) with high visible-light photocatalytic activity: A probe to disclose the charge transfer in BiOCl (0 1 0)/surface-complex system,Applied Catalysis B: Environmental, 2015, 163, 205–213.
1.Zou, WS; Lin, S; Lian,HZ; Xie, DQ; Ge,X et al., Mechanism and application of halogen bond induced fluorescence enhancement and iodine molecule cleavage in solution,New Journal of Chemistry,2015,39, 262-272.
2014：
7. Lin, S*; Huang, J; Ye, XX, Stability and electronic structure of iron nanoparticle anchored on defective hexagonal boron nitrogen nanosheet: a first-principle study.Appl. Surf. Sci. 2014, 320,237–243.
6. Peterson, EJ; DeLaRiva, AT; Lin, S et al., Low-temperature carbon monoxide oxidation catalysed by regenerable atomically dispersed palladium on alumina,Nature Communications, 2014, 5, 4885. (Hightlight in Science)
5.Chen, Y; Wang,B; Lin, S; Zhang,YF; Wang,XC, Activation of n → π* Transitions in Two-Dimensional Conjugated Polymers for Visible Light Photocatalysis.Journal of Physical Chemistry C, 2014, 118,29981–29989.
4. Wang, SB; Hou, YD; Lin, S; Wang, XC, Water oxidation electrocatalysis by a zeolitic imidazolate framework,Nanoscale, 2014, 6, 9930-9934.
3. Liang, SJ; Wen, LR; Lin, S et al.,Monolayer HNb3O8 for Selective Photocatalytic Oxidation of Benzylic Alcohols with Visible Light Response.Angew. Chem. Int. Ed, 2014, 53, 1-6.
2. Zhang, GG; Zhang, MW; Ye, XX; Qiu, XQ; Lin, S; Wang, XC. Iodine Modified Carbon Nitride Semiconductors as Visible Light Photocatalysts for Hydrogen Evolution,Advanced Materials, 2014, 26,805-809.
1.Zhang, JS; Zhang, MW; Lin, S; Fu, XZ; Wang, XC, Molecular Doping of Carbon Nitride Photocatalysts with Tunable Bandgap and Enhanced Activity,J. Catal., 2014, 310, 24-30.
2013：
8.Lin, S* et al, First-principle insights into the catalytic role of indium oxide in methanol steam reforming,Chin. J. Catal., 2013, 34, 1855-1860.
7.Lin, S*; Ye, XX; Johnson, R; Guo, H, First-principles Investigations of Metal (Cu, Ag, Au, Pt, Rh, Pd, Fe, Co and Ir) Doped Hexagonal Boron Nitride Nanosheets: Stability and Catalysis of CO Oxidation,J. Phys. Chem. C, 2013, 117, 17319–17326.
6.Lei, L*, Lin, S* et al., A synthetic route to metal nitrides: high-pressure solid-state metathesis (HPSSM) reaction,Inorganic Chemistry, 2013, 52, 13356–13362.
5.Lin, S*; Ma, JY*; Ye, XX; Xie, DQ; Guo, H, CO Hydrogenation on Pd(111): Competition between Fischer-Tropsch and Oxygenate Synthesis Pathways,J. Phys. Chem. C, 2013, 117, 14667–14676.
4. Johnson, R et al, CO oxidation mechanism and reactivity on PdZn alloys,Phys. Chem. Chem. Phys., 2013, 15, 7768 - 7776.
3. Halevi, B; Lin, S et al, Selectivity of ZnO Powder Catalysts for Methanol Steam Reforming,J. Phys. Chem. C, 2013, 117, 6493-6503.
2.Lin, S* et al, A computational investigation of CO oxidation on ruthenium-embedded hexagonal boron nitride nanosheet,Comput. Theor. Chem, 2013, 1011, 5-10.
1.Lin, S* et al, Influence of Defects on Methanol Decomposition: Periodic Density Functional Studies on Pd(211) and Kinetic Monte Carlo Simulations,J. Phys. Chem. C, 2013, 117, 451–459.
2012：
5.Lin, S*; Xie, DQ*,Initial decomposition of methanol and water on In2O3(110): A periodic DFT study,Chin. J. Chem., 2012, 30, 2036–2040(invited article. Special Issue: 80th Anniversary of Chinese Chemical Society.)
4.Lin, S*; Xie, DQ; Guo, H, First-principles study of the methyl formate pathway of methanol steam reforming on PdZn(111) with comparison to Cu(111).J. Mol. Catal. A: Chem., 2012, 356, 165-170.
3.Zhang, JS et al, Comonomer-control of carbon nitride semiconductors to optimize hydrogen evolution with visible light,Angew. Chem. Int. Ed, 2012, 51, 3183–3187.
2.Li, AY; Lin, S; Xie, DQ, Ab initio potential energy surfaces for the ground and excited electronic states of HSiBr and the absorption and emission spectra of HSiBr/DSiBr,Advances in Physical Chemistry, 2012，572148.
1.Yuan, RS et al,Chlorine-Radical-Mediated Photocatalytic Activation of C-H Bonds with Visible Light,Angew. Chem. Int. Ed, 2012, 52, 1035–1039.
2011：
5.Lin, S; Xie, DQ; Guo, H, Methyl formate pathway in methanol steam reforming on copper: Density functional calculations,ACS Catal, 2011, 1,1263-1271.
4.Lin, S; Xie, Q; Guo, H, Pathways of methanol steam reforming on PdZn and comparison with Cu,J. Phys. Chem. C, 2011, 115, 20583–20589.
3.Lin, S; Johnson, R; Smith, GK; Xie, DQ; Guo, H, Possible pathways for methanol steam reforming involving adsorbed formaldehyde and hydroxyl intermediates: density functional theory studies on Cu(111),Phys. Chem. Chem. Phys., 2011, 13, 9622-9631
2.Lin, S; Xie, DQ, New ab initio potential energy surfaces for both the ground and excited electronic states of HSiCl and the absorption and emission spectra of HSiCl/DSiCl,J. Comput. Chem., 2011, 32, 1694.
1.Smith, GK; Lin, S; Lai, WZ; Datye, A; Xie, DQ; Guo, H, Density functional theory studies of initial steps in methanol steam reforming on PdZn and ZnO surfaces,Surf. Sci., 2011, 605, 750-759.
Before 2011：
2.Lin, S; Xie, DQ; Guo, H, Ab initio potential energy surfaces for the ground and excited electronic states of HGeBr and the Absorption and emission spectra of HGeBr/DGeBr,J. Phys. Chem. A, 2009, 113, 7314.
1.Lin, S; Xie, DQ; Guo, H, Ab initio potential energy surfaces for the ground and excited electronic states of HGeCl and the Absorption and emission spectra of HGeCl/DGeCl,J. Chem. Phys., 2008, 129,154313.[1]