林森
日期:2022-03-27 阅读次数: 作者: 来源:

姓 名: 林森


性 别: 男


职 称: 教授,博导


学 历: 博士


电 话: 0591-22865872


专 业: 物理化学


电子邮件: slin@fzu.edu.cn


研究方向: 理论与计算化学; 光催化


课题组网站 www.x-mol.com/groups/Sen_Lin

教育工作经历


2002-2006:四川大学化学学院,化学,本科

2006-2011:南京大学化学化工学院,物理化学,博士,导师:谢代前教授

2009-2010:美国新墨西哥大学化学系,访问学者,合作导师:Hua Guo

2011.6-2014.6:ca88会员登录游戏光催化研究所,讲师,硕导

2014.7-2019.6:ca88会员登录游戏光催化研究所,能源与环境光催化国家重点实验室,副教授

2017.9-2018.9: 美国新墨西哥大学化学系, 访问学者,合作导师:Hua Guo

2019.7-至今:ca88会员登录游戏光催化研究所,能源与环境光催化国家重点实验室,教授,博导


教学简介


《能源及环境催化材料前沿及产业》(ca88会员登录游戏精品课程)

《物理化学》

《文献信息检索》

《物理化学实验(一)、(二)》

《专业英语》

《光催化剂制备与表征》


科研简介


课题组主要开展多相催化反应机理的理论研究,关注催化领域的前沿问题,致力于阐明重要化学反应中的关键机制,通过归纳复杂反应的规律为催化剂理性设计提供新策略,再尝试发展新催化剂模型以解释令人关注的催化过程。近年来,在催化领域发表SCI论文100余篇,以第一作者/通讯作者在J Am Chem Soc、Sci Adv、Angew Chem Int Ed、Chem、Chem Sci、ACS Catal、J Catal等重要期刊发表论文80余篇,其中影响因子>10的论文15篇,5篇被选为封面报道,3篇被选为年度热点文章,3篇曾入选高被引论文,1篇为主编精选文章,参与编著英文著作2部,所有论文被他引5000余次,H因子30。工作以来,主持项目10余项,其中包括国家自然科学基金项目3项,福建省自然科学基金重点项目1项,多次应邀在国际国内学术会议做邀请报告。

目前取得的代表性工作有:1) 提出“动态过程解释反应选择性”新观点,弥补了传统静态能量计算的不足。2) 提出认识催化反应选择性的简便方法,为催化剂理性设计提供新策略。3) 发展了“单原子位点助催化剂”理论模型,拓展了单原子位点作为活性中心的传统认知。近年来,课题组与实验紧密合作,多次解释了实验现象并提出相关的新机理、新模型,并将催化剂设计理念成功应用于当前所在区域的实际化工领域,与化工科技公司合作,助力其技术部门快速筛选并预测多种高效催化剂。

已培养研究生10余名,其中4人获得研究生国家奖学金,4人获评ca88会员登录游戏优秀毕业论文,2人获福建省优秀硕士毕业论文, 1人赴瑞典查尔莫斯理工大学攻读博士学位。目前在读研究生11名,其中1名赴美国加州大学河滨分校联合培养,1名赴德国哥廷根大学联合培养,1名赴美国新墨西哥大学联合培养。

2022年在物理化学专业招收三名学术型硕士(9月份入学),欢迎电话或邮件联系我们!


科研项目


国家自然科学基金面上项目21973013, 2020-2023

国家自然科学基金面上项目(21673040, 2017-2020)

福建省“雏鹰计划”青年拔尖人才项目

福建省自然科学基金重点项(2020J02025,2020-2023)

国家自然科学基金青年项目(21203026, 2013-2015)

省部共建国家重点实验室课题(2017-2020)

“旗山学者“经费资助 (2017-2020)

福建省自然科学基金面上项目(2016J01052,2016-2019)

教育部博士点专项科研基金(20123514120001, 2013-2015)

福建省自然科学基金青年项目(2012J05022, 2012-2014)

ca88会员登录游戏科技发展基金

ca88会员登录游戏科研启动基金


获奖情况


两次获得福建省优秀硕士毕业论文指导教师奖

入选2017年度“旗山学者”奖励支持计划

2017年获“鸿耀奖教奖”

2020年获"福能奖教奖”

2021年入选福建省“雏鹰计划”青年拔尖人才


发表论文


详见课题组网站 www.x-mol.com/groups/Sen_Lin


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.





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