For the details of my publications,please refer to my Research ID or Google Scholar Citations
2017
76 Ultrlthin Layers of PdXP (X = S, Se): Two-dimensional Semiconductors for Photocatalytic Water Splitting
Yu Jing, Yandong Ma, Yu Wang, Yafei Li*, Thomas Heine*
Chemistry-An European Journal. 2017, accepted.
75 Two-dimensional Iron-Porphyrin Sheet as Promising Catalyst for Oxygen Reduction Reaction: A Computational Study
Gan Luo, Yu Wang, Yafei Li*
Science Bulletin, 2017, accepted.
74 Theoretical and Experimental Studies of Three Water-stable, Isostructural, Paddlewheel based Semiconducting Metal-organic
Frameworks
Xiaowei Yang, Yuan Zhang, Feng Li, Tiantian Guo, Yong Wu, Fengyan Jin, MinFang*, Yanqian Lan, Yafei Li*, Yong Zhou*, Zhigang Zou
Dalton. Trans. 2017, 46, 8204-8218.
73 CoV2O6-V2O5 Coupled with Porous N-doped Reduced Graphene Oxide Composite as a Highly Efficient Eletrocatalyst for Oxygen Evolution
Fengcui Shen, Yu, Wang, Yujia Tang, Shunli Li, Yirong Wang, Longzhang Dong, Yafei Li,* Yaqian Lan*
ACS Energy Lett. 2017, 2, 1327-1333.
72 Supported Cobalt Polyphthalocyanine for Selectively Reducing CO2 to CO at Low Overpotential and High Turnover Frequency
Na Han, Yu Wang, Lu Ma, Jianguo Wen, Jing Li, Xinxia Wang, Feipeng Zhao, Yafei Li*, Jian Fan, Tianping Wu, Jun Lu*,
Shuit-Tong Lee, Yanguang Li*
Chem. 2017, Accepted
71 GeP3: A Small Indirect Band Gap 2D Crystal with High Carrier Mobility and Strong Interlayer Quantum Confinement
Yu Jing, Yandong Ma, Yafei Li*, Thomas Heine*
Nano Lett. 2017, 17, 1833-1838.
70 Rapid Exfoliation of Layered Covalent Triaizne-based Frameworks into N-Doped Quantum Dots for Selective Detection of Hg2+ Ions
Yuanzhi Zhu+ , Man Qiao +, Wenchao Peng , Yang Li , Guoliang Zhang , Fengbao Zhang , Yafei Li* and Xiaobin Fan*
J. Mater. Chem. A 2017, 5, 9272-9278.
69 Tetra-silicene: A Semiconducting Allotrope of Silicene with Negative Poisson's Ratio
Man Qiao, Yu Wang, Yafei Li*, Zhongfang Chen*
J. Phys. Chem. C 2017, 121, 9627-9633.
2016
68 Ultra-small and Phase-pure W2C Nanopaticles for Efficient Electrocatalytic and Photoelectrochemical Hydrogen Evolution
Qiufang Gong+, Yu Wang+, Qi Hu, Jigang Zhou, Renfei Feng, Paul N, Duchesne, Peng Zhang, Fengjiao Chen, Na Han, Yafei Li, Chuanhong Jin, Yanguang Li, Shuit-Tong Lee
Nature Communications, 2016, 7, 13216.
67 Haijun Zhang, Yafei Li, Jianhou Hou, Aijun Du, Zhongfang Chen
Dirac State in the FeB2 Monolayer with Graphene-Like Boron Sheet
Nano Lett. 2016, 16, 6124-6129
66. Exploring Bio-Inspired Quinone-Based Organic Redox Flow Batteries: A Combined Experimental and Computational Study
Yu Ding, Yafei Li*, Guihua Yu*
Chem, 2016, 1, accepted
65. Coupled Molebdenum Carbide and Reduced Graphene Oxide Electrocatalysts for Effient Hydrogen Evolution
Jisen Li+, Yu Wang+, Chunhui, Liu, Shunli Li, Yugang Wang, Longzhang Dong, Zhihui Dai*, Yafei Li, Yaqian Lan*
Nature Communications. 2016, 7, 11204.
64 FeB6 Monolayers: The Graphene-like Material with Hypercoordinate Transition Metal
Haijun Zhang, Yafei Li, Jianhua Hou, Kaixiong Tu, Zhongfang Chen*
J. Am. Chem. Soc. 2016, 138, 5644-5651.
63. Two-dimensional Stanane: Strain-tunable Electronic Structure, High Carrier Mobility, and Pronounced Light Adsorption
Xiuhong Liu, Yu Wang, Feng Li, Yafei Li*
Phys. Chem. Chem. Phys. 2016, 18, 14638-14643.
62. Semimetallic B5C2 Monolayer Global Minimum with Quasi Planar Pentacoordinate Carbons and Negative Possion's Ratio
Yu Wang, Feng Li, Yafei Li*, Zhongfang Chen*
Nature Communications. 2016, 7, 11488.
61. Molybdenum Disulfide/Nitrogen-Doped Reduced Graphene Oxide Nanocomposite with Enlarged Interlayer Spacing for
Electrocatalytic Hydrogen Evolution
Yujia Tang, Yu Wang, Xiaoli Wang, Shunli Li, Wei Huang, Longzhang Dong, Chuihui Liu, Yafei Li*, Yaqian Lan*
Adv. Energy. Mater. 2016, DOI: 10.1002/aenm.201600116.
60. Band-gap modulation of C4H nanosheets by interlayer weak interaction and external electric field: a computational study
Feng Li, Yafei Li*
Theore. Chem. Acc. 2016, 135: 90. http://link.springer.com/article/10.1007/s00214-016-1851-7
59. Germanium monosulfide monolayer: a novel two-dimensional semiconductor with a high carrier mobility
Feng Li, Xiuhong Liu, Yu Wang, Yafei Li*
J. Mater. Chem. C 2016, 4(11): 2155-2159. http://dx.doi.org/10.1039/c6tc00454g
58. Semiconducting Group 15 Monolayers: A Broad Range of Band Gaps and High Carrier Mobilities
Shengli Zhang, Meiqiu Xie, Fengyu Li, Yafei Li, Zhongfang Chen, Haibo Zeng
Angew. Chem. Int. Ed 2016, 55 (5), 1666-1669. http://dx.doi.org/10.1002/anie.201507568
2015
57. Not your familiar two dimensional transition metal disulfide: structural and electronic properties of the PdS2monolayer
Wang Yu, Yafei Li,* Zhongfang Chen
J . Mater. Chem. C 2015, 3 (14): 9603-9608. http://pubs.rsc.org/en/content/articlehtml/2015/tc/c5tc01345c
56. Monoclinic Copper(I) Selenide Nanocrystals and Copper(I) Selenide/Palladium Heterostructures: Synthesis, Characterization,
and Surface-Enhanced Raman Scattering Performance
Long Zhang, Shulin Zhao, Yafei Li, Yaqian Lan, Min Han, Zhihui Dai, Jianchun Bao
European Journal of Inorganic Chemistry 2015, 13: 5848-5854. http://dx.doi.org/10.1002/ejic.201500008
55. Understanding the Effect of Different Polymeric Surfactants on Enhancing the Silicon/Reduced Graphene Oxide Anode Performance
Xia Liu, Yichen Du, Linyun Hu, Xiaosi Zhou, Yafei Li, Zhihui Dai, Jianchun Bao
J. Phys. Chem. C 2015, 119 (11): 5848-5854. http://pubs.acs.org/doi/abs/10.1021/jp512152f
54. Ultrastable Polymolybdate-Based Metal Organic Frameworks as Highly Active Electrocatalysts for Hydrogen Generation from Water
Junsheng Qin, Dongying Du, Wei Guan, Xiangjie Bo, Yafei Li, Liping Guo, Zhongmin Su, Yuanyuan Wang, Yaqian Lan, Hongcai Zhou
J. Am. Chem. Soc. 2015, 137 (22), 7169-7177. http://dx.doi.org/10.1021/jacs.5b02688
53. Two-dimensional iron-phthalocyanine (Fe-Pc) monolayer as a promising single-atom-catalyst for oxygen reduction reaction: a
computational study
Yu Wang, Hao Yuan, Yafei Li,* Zhongfang Chen*
Nanoscale 2015, 7 (27), 11633-11641. http://dx.doi.org/10.1039/c5nr00302d
52. Improving the Anode Performance of WS2 through a Self-Assembled Double Carbon Coating
Yichen Du, Xiaoshu Zhu, Ling Si, Yafei Li, Xiaosi Zhou, Jianchun Bao
J. Phys. Chem. C 2015, 119 (28): 15874-15881.
51. Fluorine-Doped Carbon Particles Derived from Lotus Petioles as High-Performance Anode Materials for Sodium-Ion Batteries
Pengzi Wang, Bin Qiao, Yichen Du, Yafei Li, Xiaoso Zhou, Zhihui Dai, Jianchun Bao
J. Phys. Chem. C 2015, 119 (37): 21366-21344. http://dx.doi.org/10.1021/acs.jpcc.5b05443
50. Five-Fold Twinned Pd2NiAg Nanocrystals with Increased Surface Ni Site Availability to Improve Oxygen Reduction Activity
Suli Liu, Qinghua Zhang, Yafei Li, Min Han, Lin Gu, Cewen Nan, Jianchun Bao, Zhihui Bao
J. Am. Chem. Soc. 2015, 137 (8): 2820-2823. http://dx.doi.org/10.1021/ja5129154
49. A Chemically Coupled Antimony/Multilayer Graphene Hybrid as a High-Performance Anode for Sodium-Ion Batteries
Lingyun Hu, Xiaoshu Zhu, Yichen Du, Yafei Li, Xiaosi Zhou, Jianchun Bao
Chem. Mater. 2015, 27 (23): 8138-8145. http://dx.doi.org/10.1021/acs.chemmater.5b03920
48. Atomically Thin Arsenene and Antimonene: Semimetal-Semiconductor and Indirect-Direct Band-Gap Transitions
Shengli Zhang, Zhong Yan, Yafei Li, Zhongfang Chen, Haibo Zeng
Angew. Chem. Int. Ed 2015, 54 (10): 3112-3115. http://dx.doi.org/10.1002/anie.201411246
47. Band Gap Modulation of Janus Graphene Nanosheets by Interlayer Hydrogen Bonding and the External Electric Field
Feng Li, Yafei Li*
J. Mater. Chem. C 2015, 3 (14): 3416-3421. (Link: http://dx.doi.org/10.1021/cs501790v)
46. Exploration of High-Performance Single-Atom Catalysts on Support M1/FeOx for CO Oxidation via Computational
Study
Fengyu Li, Yafei Li, Xiaocheng Zeng*, Zhongfang Chen*
ACS Catal 2015, 5, 544-552. (Link: http://dx.doi.org/10.1021/cs501790v)
2014
45. Reducing Band Gap and Enhancing Carrier Mobility of Boron Nitride Nanoribbons by Conjugated Edge States
Yu Wang, Yafei Li*, Zhongfang Chen*
J. Phys. Chem. C 2014, 118 (43): 25051-25056. (Link: http://dx.doi.org/10.1021/jp5078328)
44. Be2C Monolayer with Quasi-Planar Hexacoordinate Carbons: A Global Minimum Structure
Yafei Li*, Yunlong Liao, Zhonfang Chen*
Angew. Chem. Int. Ed. 2014, 53 (28): 7248-7252. (Link: http://dx.doi.org/10.1002/anie.201403833)
43. Al2C Monolayer: The Planar Tetracoordinate Carbon Global Minimum
Yafei Li, Yunlong Liao, Paul von Rague Schleyer, Zhongfang Chen*
Nanoscale 2014, 6 (18): 10784-10791 (Link: http://dx.doi.org/10.1039/c4nr01972e)
42. Preserving the Edge Magnetism of Graphene Nanoribbons by Iodine Termination: A Computational Study
Yu Wang, Yafei Li*
Theory. Chem. Acc. 2014, 133, 1548. (Link: http://dx.doi.org/10.1007/s00214-014-1548-8)
41. Self-Modulated Band Structure Engineering in C4F Nanosheet: First-Principles Insights
Yafei Li*, Bay Allen Pantoja, Zhongfang Chen*
J. Chem. Theory. Comput. 2014, 10 (3): 1265-1271. (Link: http://dx.doi.org/10.1021/ct401083c)
Cover Story /uploads/4/5/1/9/45190171/cover.jpg
40. Tuning Electronic Properties of Germanane Layers by External Electric Field and Biaxial Tensile Strain: A
Computational Study
Yafei Li*, Zhongfang Chen*
J. Phys. Chem. C 2014, 118 (2): 1148-1154. (Link: http://dx.doi.org/10.1021/jp411783q)
39. Tuning Band Gaps of BN Nanosheets and Nanoribbons via Interfacial Dihalogen Bonding and External Field
Qing Tang, Jie Bao, Yafei Li, Zhou Zhen*, Zhongfang Chen
Nanoscale 2014, 6 (15): 8624-8634. (Link: http://dx.doi.org/10.1039/c4nr00008k)
2013
38. "Benzation" of Graphene upon Addition of Monovalent Chemical Specie
Iran Popov, Yafei Li, Zhongfang Chen, Alexander Boldyrev*
Phys. Chem. Chem. Phys. 2013, 15(18): 6842-6848. (Link: http://dx.doi.org/10.1039/c3cp43921f)
37. An Effective Approach to Achieve a Spin Gapless Semiconductor-Half Metal-Metal Transition in Zigzag Graphene
Nanoribbons: Attaching A Floating Induced Dipole Field via pi-pi Interactions.
Jia Guan, Wei Chen, Yafei Li, Guangtao Yu*, Zhiming Shi, Xuri Huang*, Chiachung Sun, Zhongfang Chen
Adv. Func. Mater. 2013, 23 (12): 1507-1518. (Link: http://dx.doi.org/10.1002/adfm.201201677)
36. Preserving the Edge Magnetism of Zigzag Graphene Nanoribbons by Ethylene Termination: Insight by Clar's Rule
Yafei Li, Zhen Zhou, Carlos R Cabrera, Zhongfang Chen*
Sci. Rep. 2013, 3, 2030. (Link: http://dx.doi.org/10.1038/srep02030)
35. XH/pi (X = C, Si) Interactions in Graphene and Silicene: Weak in Strength, Strong in Tuning Band Structures
Yafei Li, Zhongfang Chen*
J. Phys. Chem. Lett. 2013, 4 (2): 269-275. (Link: http://dx.doi.org/10.1021/jz301821n)
34. Electronic and Magnetic Properties of Hybrid Graphene Nanoribbons with Zigzag-Armchair Heterojunctions
Yafei Li, Zhen Zhou*, Panwen Shen, Zhongfang Chen*
J. Phys. Chem. C 2012, 116 (1): 208-213. (Link: http://dx.doi.org/10.1021/jp207788t)
2012
33. Enhanced Li Adsorption And Diffusion on MoS2 Zigzag Nanoribbons By Edge Effects: A Computational Study
Yafei Li, Dihua Wu, Zhen Zhou*, Carlos B Cabrera, Zhongfang Chen*
J. Phys. Chem. Lett. 2012, 3 (16): 2221-2227. (Link: http://dx.doi.org/10.1021/jz300792n)
32. First-Principle Studies on Structural and Electronic Properties of GaN-AlN Heterostructure Nanowires
Haijun Zhang, Yafei Li, Qing Tang, Zhen Zhou*
Nanoscale 2012, 4 (4): 1078-1084. (Link: http://dx.doi.org/10.1039/c1nr10465a)
31. From Vanadium Naphthalene (Vn-1Npn) Sandwich Clusters to VNp Sandwich Nanowire: Structural, Energetic, Electronic, and
Magnetic Properties
Yafei Li, Zhen Zhou, Zhongfang Chen*
J. Phys. Chem. A 2012, 116(6): 1648-1654. (Link: http://pubs.acs.org/doi/abs/10.1021/jp2099398)
30. Graphane/Fluorographene Bilayer: Considerable C-H center dot center dot center dot F-C Hydrogen Bonding and Effective Band
Structure Engineering
Yafei Li, Fengyu Li, Zhongfang Chen*
J. Am. Chem. Soc. 2012, 134(27): 11269-11275. (Link: http://dx.doi.org/10.1021/ja3040416)
29. Patterned Partially Hydrogenated Graphene (C4H) and Its One-Dimensional Analogues: A Computational Study
Yafei Li, Zhongfang Chen*
J Phys. Chem. C 2012, 116(7): 4526-4534. (Link: http://dx.doi.org/10.1021/jp212499h)
28. Tuning Electronic Structure of Bilayer MoS2 by Vertical Electric Field: A First-Principles Investigation
Qihang Liu, Linze Li, Yafei Li, Zhenxiang Gao, Zhongfang Chen*, Jin Lu*
J Phys. Chem. C 2012, 116(40): 21556-21562. (Link: http://dx.doi.org/10.1021/jp307124d)
2011
27. Bi2O3-Bi2WO6 Composite Microspheres: Hydrothermal Synthesis and Photocatalytic Performances
Ming Ge, Yafei Li, Liu, L; Zhen Zhou*, Wei Chen*
J Phys. Chem. C 2011, 115(40): 5220-5225. (Link: http://dx.doi.org/10.1021/jp108414e)
26. Electronic and Magnetic Properties of BN Monolayer Sheets with H- or O-Saturated Vacancies: A First-Principles Study
Yao Cui, Qing Tang, Yafei Li, Zhen Zhou*
. Comput. and Theor. Nanos. 2011, 8(8): 1513-1519. (Link: http://dx.doi.org/10.1166/jctn.2011.1844)
25. First-principles studies on doped graphene as anode materials in lithium-ion batteries
Wu, D. H.; Yafei Li, Zhen Zhou
Theor. Chem. Acc. 2011, 130(2): 209-213. (Link: http://dx.doi.org/10.1007/s00214-011-0961-5)
24. How Do Surface and Edge Effects Alter the Electronic Properties of GaN Nanoribbons?
Qing Tang, Yao Cui, Yafei Li, Zhen Zhou*, Zhongfang Chen*
J Phys. Chem. C 2011, 115(5): 1724-1731. (Link: http://dx.doi.org/10.1021/jp109829c)
23. Metal-decorated defective BN nanosheets as hydrogen storage materials
Ming Li, Yafei Li, Zhen Zhou*, Panwen Shen
Front. Phys. 2011, 6(2): 224-230. (Link: http://dx.doi.org/10.1007/s11467-011-0170-7)
22. SiC2 Silagraphene and Its One-Dimensional Derivatives: Where Planar Tetracoordinate Silicon Happens
Yafei Li, Fengyu Li, Zhen Zhou*, Zhongfang Chen*
J. Am. Chem. Soc. 2011, 133 (4): 900-908. (Link: http://pubs.acs.org/doi/abs/10.1021/ja107711m)
2010
21. Achieving Ferromagnetism in Single-Crystalline ZnS Wurtzite Nanowires via Chromium Doping
Yafei Li, Zhen Zhou*, Peng Jin, Yongsheng Chen, Shengbai Zhang, Zhongfang Chen*
J Phys. Chem. C 2010, 114(28): 12099-12103. (Link: http://dx.doi.org/10.1021/jp102875p)
20. CO Catalytic Oxidation on Iron-Embedded Graphene: Computational Quest for Low-Cost Nanocatalysts
Yafei Li, Zhen Zhou*, Guangtao Yu, Wei Chen, Zhongfang Chen*
J. Phys. Chem. C 2010 , 114 (14): 6250-6254. (Link: http://dx.doi.org/10.1021/jp911535v)
19. Computational Investigation on Structural and Physical Properties of AIN Nanosheets and Nanoribbons
Yafei Li, Yang, Zhenyu Yang, Zheng Chen, Zhen Zhou*
J.Nanosci.Nanotechnol. 2010, 10 (11): 7200-7203. (Link: http://dx.doi.org/10.1166/jnn.2010.2934)
18. Hydrogenation: A Simple Approach To Realize Semiconductor-Half-Metal-Metal Transition in Boron Nitride Nanoribbons
Wei Chen, Yafei Li, Guangtao Yu, ChenZhong Li, Shengbai B Zhang, Zhen Zhou*, Zhongfang Chen*
J. Am. Chem. Soc. 2010, 132 (5): 1699-1705. (Link: http://dx.doi.org/10.1021/ja908475v)
17. Tuning Electronic and Magnetic Properties of Wurtzite ZnO Nanosheets by Surface Hydrogenation
Qing Tang, Yafei Li, Zhen Zhou*, Yongsheng Chen, Zhongfang Chen*
ACS Appl Mater & Inter. 2010 , 2 (8 ): 2442-2447. (Link: http://dx.doi.org/10.1021/am100467j)
16. Two-dimensional polyphenylene: experimentally available porous graphene as A hydrogen purification membrane
Yafei Li, Zhen Zhou*, Panwen Shen, Zhongfang Chen*
Chem. Commun. 2010, 46 (21): 3672-3674. (Link: http://dx.doi.org/10.1166/jnn.2010.2934)
2009
15. Ca-Coated Boron Fullerenes and Nanotubes as Superior Hydrogen Storage Materials
Li, Ming, Yafei Li, Zhen Zhou*, Panwen Shen, Zhongfang Chen*
Nano. Lett. 2009, 9 (5): 1944-1948. (Link: http://dx.doi.org/10.1021/nl900116q)
14. Computational studies on hydrogen storage in aluminum nitride nanowires/tubes
Yafei Li, Zhen Zhou*, Panwen Shen, S. B. Zhang, Zhongfang Chen*
Nanotechnology 2009, 20 (21): 215701. (Link: http://dx.doi.org/10.1088/0957-4484/20/21/215701)
13. Do all wurtzite nanotubes prefer faceted ones?
Yafei Li, Zhen Zhou*, Yongsheng Chen, Zhongfang Chen*
J. Chem. Phys. 2009, 130 (20): 204706. (Link: http://dx.doi.org/10.1063/1.3140099)
12. Electronic Structure and Reactivity of Boron Nitride Nanoribbons with Stone-Wales Defects
Wei Chen, Yafei Li, Guangtao Yu, Zhen Zhou*, Zhongfang Chen*
J. Chem. Theor. Comput. 2009,5 (11): 3088-3095. (Link: http://dx.doi.org/10.1021/ct900388x)
11. Functionalization of BN nanotubes with free radicals: electroaffinity-independent configuration and band structure engineering
Zhenyu Yang, Yafei Li, Zhen Zhou*
Frontiers of Physics in China 2009,4 (3): 378-382. (Link: http://dx.doi.org/10.1007/s11467-009-0024-8)
10. How Different Are BN Nanotubes from Carbon Nanotubes?
Zhen Zhou*, Yafei Li
J. Comput. and Theor. Nanos. 2009,6 (2): 327-334. (Link: http://dx.doi.org/10.1166/jctn.2009.1039)
9. Spin Gapless Semiconductor-Metal-Half-Metal Properties in Nitrogen-Doped Zigzag Graphene Nanoribbons
Yafei Li, Zhen Zhou*, Panwen Shen, Zhongfang Chen*
ACS Nano 2009, 3 (7): 1952-1958. (Link: http://dx.doi.org/10.1021/nn9003428)
8. Structural and Electronic Properties of Graphane Nanoribbon
Yafei Li, Zhen Zhou*, Panwen Shen, Zhongfang Chen*
J. Phys. Chem. C 2009, 113 (33): 15043-15045. (Link: http://dx.doi.org/10.1021/jp9053499)
2008
7. CNx nanotubes with pyridinelike structures: p-type semiconductors and Li storage materials
Yafei Li, Zhen Zhou*, LB Wang
J. Chem. Phys. 2008, 129 (10): 104703. (Link: http://dx.doi.org/10.1063/1.2975237)
6. Electronic structures of SiC nanoribbons
Lian Sun, Yafei Li, Zhenyu Li, Qunxiang Li, Zhen Zhou, Zhongfang Chen, Jinlong Yang, Jianguo Hou
J. Chem. Phys. 2008, 129 (17): 174114. (Link: http://dx.doi.org/10.1063/1.3006431)
5. Functionalization of BN nanotubes with dichlorocarbenes
Yafei Li, Zhen Zhou*, Jijun Zhao*
Nanotechnology 2008, 19 (1): 015202. (Link: http://dx.doi.org/10.1088/0957-4484/19/01/015202)
4. MoS2 Nanoribbons: High Stability and Unusual Electronic and Magnetic Properties
Yafei Li, Zhen Zhou, Shengbai Zhang, Zhongfang Chen
J. Am. Chem. Soc. 2008, 130 (49): 16739-16744. (Link: http://dx.doi.org/10.1021/ja805545x)
3. Size- and surface-dependent stability, electronic properties, and potential as chemical sensors: Computational
studies on one-dimensional ZnO nanostructures
Zhen Zhou*, Yafei Li, Lu Liu, Yongsheng Chen, Shengbai Zhang, Zhongfang Chen*
J. Phys. Chem. C 2008, 112 (36): 13926-13931. (Link: http://dx.doi.org/10.1021/jp803273r)
2. Stone-wales defects in single-walled boron nitride nanotubes: Formation energies, electronic structures, and
reactivity
Yafei Li, Zhen Zhou*, Dmitri Golberg, Yoshio Bando, Paul von Rague Schleyer, Zhongfang Chen*
J. Phys. Chem. C 2008, 112 (5): 1365-1370. (Link: http://pubs.acs.org/doi/abs/10.1021/jp077115a)
2007
1. Transformation from chemisorption to physisorption with tube diameter and gas concentration: Computational
studies on NH3 adsorption in BN nanotubes
Yafei Li, Zhen Zhou, JiJun Zhao*
J. Chem. Phys. 2007, 127 (18): 184705. (Link: http://dx.doi.org/10.1063/1.2786112)
2017
76 Ultrlthin Layers of PdXP (X = S, Se): Two-dimensional Semiconductors for Photocatalytic Water Splitting
Yu Jing, Yandong Ma, Yu Wang, Yafei Li*, Thomas Heine*
Chemistry-An European Journal. 2017, accepted.
75 Two-dimensional Iron-Porphyrin Sheet as Promising Catalyst for Oxygen Reduction Reaction: A Computational Study
Gan Luo, Yu Wang, Yafei Li*
Science Bulletin, 2017, accepted.
74 Theoretical and Experimental Studies of Three Water-stable, Isostructural, Paddlewheel based Semiconducting Metal-organic
Frameworks
Xiaowei Yang, Yuan Zhang, Feng Li, Tiantian Guo, Yong Wu, Fengyan Jin, MinFang*, Yanqian Lan, Yafei Li*, Yong Zhou*, Zhigang Zou
Dalton. Trans. 2017, 46, 8204-8218.
73 CoV2O6-V2O5 Coupled with Porous N-doped Reduced Graphene Oxide Composite as a Highly Efficient Eletrocatalyst for Oxygen Evolution
Fengcui Shen, Yu, Wang, Yujia Tang, Shunli Li, Yirong Wang, Longzhang Dong, Yafei Li,* Yaqian Lan*
ACS Energy Lett. 2017, 2, 1327-1333.
72 Supported Cobalt Polyphthalocyanine for Selectively Reducing CO2 to CO at Low Overpotential and High Turnover Frequency
Na Han, Yu Wang, Lu Ma, Jianguo Wen, Jing Li, Xinxia Wang, Feipeng Zhao, Yafei Li*, Jian Fan, Tianping Wu, Jun Lu*,
Shuit-Tong Lee, Yanguang Li*
Chem. 2017, Accepted
71 GeP3: A Small Indirect Band Gap 2D Crystal with High Carrier Mobility and Strong Interlayer Quantum Confinement
Yu Jing, Yandong Ma, Yafei Li*, Thomas Heine*
Nano Lett. 2017, 17, 1833-1838.
70 Rapid Exfoliation of Layered Covalent Triaizne-based Frameworks into N-Doped Quantum Dots for Selective Detection of Hg2+ Ions
Yuanzhi Zhu+ , Man Qiao +, Wenchao Peng , Yang Li , Guoliang Zhang , Fengbao Zhang , Yafei Li* and Xiaobin Fan*
J. Mater. Chem. A 2017, 5, 9272-9278.
69 Tetra-silicene: A Semiconducting Allotrope of Silicene with Negative Poisson's Ratio
Man Qiao, Yu Wang, Yafei Li*, Zhongfang Chen*
J. Phys. Chem. C 2017, 121, 9627-9633.
2016
68 Ultra-small and Phase-pure W2C Nanopaticles for Efficient Electrocatalytic and Photoelectrochemical Hydrogen Evolution
Qiufang Gong+, Yu Wang+, Qi Hu, Jigang Zhou, Renfei Feng, Paul N, Duchesne, Peng Zhang, Fengjiao Chen, Na Han, Yafei Li, Chuanhong Jin, Yanguang Li, Shuit-Tong Lee
Nature Communications, 2016, 7, 13216.
67 Haijun Zhang, Yafei Li, Jianhou Hou, Aijun Du, Zhongfang Chen
Dirac State in the FeB2 Monolayer with Graphene-Like Boron Sheet
Nano Lett. 2016, 16, 6124-6129
66. Exploring Bio-Inspired Quinone-Based Organic Redox Flow Batteries: A Combined Experimental and Computational Study
Yu Ding, Yafei Li*, Guihua Yu*
Chem, 2016, 1, accepted
65. Coupled Molebdenum Carbide and Reduced Graphene Oxide Electrocatalysts for Effient Hydrogen Evolution
Jisen Li+, Yu Wang+, Chunhui, Liu, Shunli Li, Yugang Wang, Longzhang Dong, Zhihui Dai*, Yafei Li, Yaqian Lan*
Nature Communications. 2016, 7, 11204.
64 FeB6 Monolayers: The Graphene-like Material with Hypercoordinate Transition Metal
Haijun Zhang, Yafei Li, Jianhua Hou, Kaixiong Tu, Zhongfang Chen*
J. Am. Chem. Soc. 2016, 138, 5644-5651.
63. Two-dimensional Stanane: Strain-tunable Electronic Structure, High Carrier Mobility, and Pronounced Light Adsorption
Xiuhong Liu, Yu Wang, Feng Li, Yafei Li*
Phys. Chem. Chem. Phys. 2016, 18, 14638-14643.
62. Semimetallic B5C2 Monolayer Global Minimum with Quasi Planar Pentacoordinate Carbons and Negative Possion's Ratio
Yu Wang, Feng Li, Yafei Li*, Zhongfang Chen*
Nature Communications. 2016, 7, 11488.
61. Molybdenum Disulfide/Nitrogen-Doped Reduced Graphene Oxide Nanocomposite with Enlarged Interlayer Spacing for
Electrocatalytic Hydrogen Evolution
Yujia Tang, Yu Wang, Xiaoli Wang, Shunli Li, Wei Huang, Longzhang Dong, Chuihui Liu, Yafei Li*, Yaqian Lan*
Adv. Energy. Mater. 2016, DOI: 10.1002/aenm.201600116.
60. Band-gap modulation of C4H nanosheets by interlayer weak interaction and external electric field: a computational study
Feng Li, Yafei Li*
Theore. Chem. Acc. 2016, 135: 90. http://link.springer.com/article/10.1007/s00214-016-1851-7
59. Germanium monosulfide monolayer: a novel two-dimensional semiconductor with a high carrier mobility
Feng Li, Xiuhong Liu, Yu Wang, Yafei Li*
J. Mater. Chem. C 2016, 4(11): 2155-2159. http://dx.doi.org/10.1039/c6tc00454g
58. Semiconducting Group 15 Monolayers: A Broad Range of Band Gaps and High Carrier Mobilities
Shengli Zhang, Meiqiu Xie, Fengyu Li, Yafei Li, Zhongfang Chen, Haibo Zeng
Angew. Chem. Int. Ed 2016, 55 (5), 1666-1669. http://dx.doi.org/10.1002/anie.201507568
2015
57. Not your familiar two dimensional transition metal disulfide: structural and electronic properties of the PdS2monolayer
Wang Yu, Yafei Li,* Zhongfang Chen
J . Mater. Chem. C 2015, 3 (14): 9603-9608. http://pubs.rsc.org/en/content/articlehtml/2015/tc/c5tc01345c
56. Monoclinic Copper(I) Selenide Nanocrystals and Copper(I) Selenide/Palladium Heterostructures: Synthesis, Characterization,
and Surface-Enhanced Raman Scattering Performance
Long Zhang, Shulin Zhao, Yafei Li, Yaqian Lan, Min Han, Zhihui Dai, Jianchun Bao
European Journal of Inorganic Chemistry 2015, 13: 5848-5854. http://dx.doi.org/10.1002/ejic.201500008
55. Understanding the Effect of Different Polymeric Surfactants on Enhancing the Silicon/Reduced Graphene Oxide Anode Performance
Xia Liu, Yichen Du, Linyun Hu, Xiaosi Zhou, Yafei Li, Zhihui Dai, Jianchun Bao
J. Phys. Chem. C 2015, 119 (11): 5848-5854. http://pubs.acs.org/doi/abs/10.1021/jp512152f
54. Ultrastable Polymolybdate-Based Metal Organic Frameworks as Highly Active Electrocatalysts for Hydrogen Generation from Water
Junsheng Qin, Dongying Du, Wei Guan, Xiangjie Bo, Yafei Li, Liping Guo, Zhongmin Su, Yuanyuan Wang, Yaqian Lan, Hongcai Zhou
J. Am. Chem. Soc. 2015, 137 (22), 7169-7177. http://dx.doi.org/10.1021/jacs.5b02688
53. Two-dimensional iron-phthalocyanine (Fe-Pc) monolayer as a promising single-atom-catalyst for oxygen reduction reaction: a
computational study
Yu Wang, Hao Yuan, Yafei Li,* Zhongfang Chen*
Nanoscale 2015, 7 (27), 11633-11641. http://dx.doi.org/10.1039/c5nr00302d
52. Improving the Anode Performance of WS2 through a Self-Assembled Double Carbon Coating
Yichen Du, Xiaoshu Zhu, Ling Si, Yafei Li, Xiaosi Zhou, Jianchun Bao
J. Phys. Chem. C 2015, 119 (28): 15874-15881.
51. Fluorine-Doped Carbon Particles Derived from Lotus Petioles as High-Performance Anode Materials for Sodium-Ion Batteries
Pengzi Wang, Bin Qiao, Yichen Du, Yafei Li, Xiaoso Zhou, Zhihui Dai, Jianchun Bao
J. Phys. Chem. C 2015, 119 (37): 21366-21344. http://dx.doi.org/10.1021/acs.jpcc.5b05443
50. Five-Fold Twinned Pd2NiAg Nanocrystals with Increased Surface Ni Site Availability to Improve Oxygen Reduction Activity
Suli Liu, Qinghua Zhang, Yafei Li, Min Han, Lin Gu, Cewen Nan, Jianchun Bao, Zhihui Bao
J. Am. Chem. Soc. 2015, 137 (8): 2820-2823. http://dx.doi.org/10.1021/ja5129154
49. A Chemically Coupled Antimony/Multilayer Graphene Hybrid as a High-Performance Anode for Sodium-Ion Batteries
Lingyun Hu, Xiaoshu Zhu, Yichen Du, Yafei Li, Xiaosi Zhou, Jianchun Bao
Chem. Mater. 2015, 27 (23): 8138-8145. http://dx.doi.org/10.1021/acs.chemmater.5b03920
48. Atomically Thin Arsenene and Antimonene: Semimetal-Semiconductor and Indirect-Direct Band-Gap Transitions
Shengli Zhang, Zhong Yan, Yafei Li, Zhongfang Chen, Haibo Zeng
Angew. Chem. Int. Ed 2015, 54 (10): 3112-3115. http://dx.doi.org/10.1002/anie.201411246
47. Band Gap Modulation of Janus Graphene Nanosheets by Interlayer Hydrogen Bonding and the External Electric Field
Feng Li, Yafei Li*
J. Mater. Chem. C 2015, 3 (14): 3416-3421. (Link: http://dx.doi.org/10.1021/cs501790v)
46. Exploration of High-Performance Single-Atom Catalysts on Support M1/FeOx for CO Oxidation via Computational
Study
Fengyu Li, Yafei Li, Xiaocheng Zeng*, Zhongfang Chen*
ACS Catal 2015, 5, 544-552. (Link: http://dx.doi.org/10.1021/cs501790v)
2014
45. Reducing Band Gap and Enhancing Carrier Mobility of Boron Nitride Nanoribbons by Conjugated Edge States
Yu Wang, Yafei Li*, Zhongfang Chen*
J. Phys. Chem. C 2014, 118 (43): 25051-25056. (Link: http://dx.doi.org/10.1021/jp5078328)
44. Be2C Monolayer with Quasi-Planar Hexacoordinate Carbons: A Global Minimum Structure
Yafei Li*, Yunlong Liao, Zhonfang Chen*
Angew. Chem. Int. Ed. 2014, 53 (28): 7248-7252. (Link: http://dx.doi.org/10.1002/anie.201403833)
43. Al2C Monolayer: The Planar Tetracoordinate Carbon Global Minimum
Yafei Li, Yunlong Liao, Paul von Rague Schleyer, Zhongfang Chen*
Nanoscale 2014, 6 (18): 10784-10791 (Link: http://dx.doi.org/10.1039/c4nr01972e)
42. Preserving the Edge Magnetism of Graphene Nanoribbons by Iodine Termination: A Computational Study
Yu Wang, Yafei Li*
Theory. Chem. Acc. 2014, 133, 1548. (Link: http://dx.doi.org/10.1007/s00214-014-1548-8)
41. Self-Modulated Band Structure Engineering in C4F Nanosheet: First-Principles Insights
Yafei Li*, Bay Allen Pantoja, Zhongfang Chen*
J. Chem. Theory. Comput. 2014, 10 (3): 1265-1271. (Link: http://dx.doi.org/10.1021/ct401083c)
Cover Story /uploads/4/5/1/9/45190171/cover.jpg
40. Tuning Electronic Properties of Germanane Layers by External Electric Field and Biaxial Tensile Strain: A
Computational Study
Yafei Li*, Zhongfang Chen*
J. Phys. Chem. C 2014, 118 (2): 1148-1154. (Link: http://dx.doi.org/10.1021/jp411783q)
39. Tuning Band Gaps of BN Nanosheets and Nanoribbons via Interfacial Dihalogen Bonding and External Field
Qing Tang, Jie Bao, Yafei Li, Zhou Zhen*, Zhongfang Chen
Nanoscale 2014, 6 (15): 8624-8634. (Link: http://dx.doi.org/10.1039/c4nr00008k)
2013
38. "Benzation" of Graphene upon Addition of Monovalent Chemical Specie
Iran Popov, Yafei Li, Zhongfang Chen, Alexander Boldyrev*
Phys. Chem. Chem. Phys. 2013, 15(18): 6842-6848. (Link: http://dx.doi.org/10.1039/c3cp43921f)
37. An Effective Approach to Achieve a Spin Gapless Semiconductor-Half Metal-Metal Transition in Zigzag Graphene
Nanoribbons: Attaching A Floating Induced Dipole Field via pi-pi Interactions.
Jia Guan, Wei Chen, Yafei Li, Guangtao Yu*, Zhiming Shi, Xuri Huang*, Chiachung Sun, Zhongfang Chen
Adv. Func. Mater. 2013, 23 (12): 1507-1518. (Link: http://dx.doi.org/10.1002/adfm.201201677)
36. Preserving the Edge Magnetism of Zigzag Graphene Nanoribbons by Ethylene Termination: Insight by Clar's Rule
Yafei Li, Zhen Zhou, Carlos R Cabrera, Zhongfang Chen*
Sci. Rep. 2013, 3, 2030. (Link: http://dx.doi.org/10.1038/srep02030)
35. XH/pi (X = C, Si) Interactions in Graphene and Silicene: Weak in Strength, Strong in Tuning Band Structures
Yafei Li, Zhongfang Chen*
J. Phys. Chem. Lett. 2013, 4 (2): 269-275. (Link: http://dx.doi.org/10.1021/jz301821n)
34. Electronic and Magnetic Properties of Hybrid Graphene Nanoribbons with Zigzag-Armchair Heterojunctions
Yafei Li, Zhen Zhou*, Panwen Shen, Zhongfang Chen*
J. Phys. Chem. C 2012, 116 (1): 208-213. (Link: http://dx.doi.org/10.1021/jp207788t)
2012
33. Enhanced Li Adsorption And Diffusion on MoS2 Zigzag Nanoribbons By Edge Effects: A Computational Study
Yafei Li, Dihua Wu, Zhen Zhou*, Carlos B Cabrera, Zhongfang Chen*
J. Phys. Chem. Lett. 2012, 3 (16): 2221-2227. (Link: http://dx.doi.org/10.1021/jz300792n)
32. First-Principle Studies on Structural and Electronic Properties of GaN-AlN Heterostructure Nanowires
Haijun Zhang, Yafei Li, Qing Tang, Zhen Zhou*
Nanoscale 2012, 4 (4): 1078-1084. (Link: http://dx.doi.org/10.1039/c1nr10465a)
31. From Vanadium Naphthalene (Vn-1Npn) Sandwich Clusters to VNp Sandwich Nanowire: Structural, Energetic, Electronic, and
Magnetic Properties
Yafei Li, Zhen Zhou, Zhongfang Chen*
J. Phys. Chem. A 2012, 116(6): 1648-1654. (Link: http://pubs.acs.org/doi/abs/10.1021/jp2099398)
30. Graphane/Fluorographene Bilayer: Considerable C-H center dot center dot center dot F-C Hydrogen Bonding and Effective Band
Structure Engineering
Yafei Li, Fengyu Li, Zhongfang Chen*
J. Am. Chem. Soc. 2012, 134(27): 11269-11275. (Link: http://dx.doi.org/10.1021/ja3040416)
29. Patterned Partially Hydrogenated Graphene (C4H) and Its One-Dimensional Analogues: A Computational Study
Yafei Li, Zhongfang Chen*
J Phys. Chem. C 2012, 116(7): 4526-4534. (Link: http://dx.doi.org/10.1021/jp212499h)
28. Tuning Electronic Structure of Bilayer MoS2 by Vertical Electric Field: A First-Principles Investigation
Qihang Liu, Linze Li, Yafei Li, Zhenxiang Gao, Zhongfang Chen*, Jin Lu*
J Phys. Chem. C 2012, 116(40): 21556-21562. (Link: http://dx.doi.org/10.1021/jp307124d)
2011
27. Bi2O3-Bi2WO6 Composite Microspheres: Hydrothermal Synthesis and Photocatalytic Performances
Ming Ge, Yafei Li, Liu, L; Zhen Zhou*, Wei Chen*
J Phys. Chem. C 2011, 115(40): 5220-5225. (Link: http://dx.doi.org/10.1021/jp108414e)
26. Electronic and Magnetic Properties of BN Monolayer Sheets with H- or O-Saturated Vacancies: A First-Principles Study
Yao Cui, Qing Tang, Yafei Li, Zhen Zhou*
. Comput. and Theor. Nanos. 2011, 8(8): 1513-1519. (Link: http://dx.doi.org/10.1166/jctn.2011.1844)
25. First-principles studies on doped graphene as anode materials in lithium-ion batteries
Wu, D. H.; Yafei Li, Zhen Zhou
Theor. Chem. Acc. 2011, 130(2): 209-213. (Link: http://dx.doi.org/10.1007/s00214-011-0961-5)
24. How Do Surface and Edge Effects Alter the Electronic Properties of GaN Nanoribbons?
Qing Tang, Yao Cui, Yafei Li, Zhen Zhou*, Zhongfang Chen*
J Phys. Chem. C 2011, 115(5): 1724-1731. (Link: http://dx.doi.org/10.1021/jp109829c)
23. Metal-decorated defective BN nanosheets as hydrogen storage materials
Ming Li, Yafei Li, Zhen Zhou*, Panwen Shen
Front. Phys. 2011, 6(2): 224-230. (Link: http://dx.doi.org/10.1007/s11467-011-0170-7)
22. SiC2 Silagraphene and Its One-Dimensional Derivatives: Where Planar Tetracoordinate Silicon Happens
Yafei Li, Fengyu Li, Zhen Zhou*, Zhongfang Chen*
J. Am. Chem. Soc. 2011, 133 (4): 900-908. (Link: http://pubs.acs.org/doi/abs/10.1021/ja107711m)
2010
21. Achieving Ferromagnetism in Single-Crystalline ZnS Wurtzite Nanowires via Chromium Doping
Yafei Li, Zhen Zhou*, Peng Jin, Yongsheng Chen, Shengbai Zhang, Zhongfang Chen*
J Phys. Chem. C 2010, 114(28): 12099-12103. (Link: http://dx.doi.org/10.1021/jp102875p)
20. CO Catalytic Oxidation on Iron-Embedded Graphene: Computational Quest for Low-Cost Nanocatalysts
Yafei Li, Zhen Zhou*, Guangtao Yu, Wei Chen, Zhongfang Chen*
J. Phys. Chem. C 2010 , 114 (14): 6250-6254. (Link: http://dx.doi.org/10.1021/jp911535v)
19. Computational Investigation on Structural and Physical Properties of AIN Nanosheets and Nanoribbons
Yafei Li, Yang, Zhenyu Yang, Zheng Chen, Zhen Zhou*
J.Nanosci.Nanotechnol. 2010, 10 (11): 7200-7203. (Link: http://dx.doi.org/10.1166/jnn.2010.2934)
18. Hydrogenation: A Simple Approach To Realize Semiconductor-Half-Metal-Metal Transition in Boron Nitride Nanoribbons
Wei Chen, Yafei Li, Guangtao Yu, ChenZhong Li, Shengbai B Zhang, Zhen Zhou*, Zhongfang Chen*
J. Am. Chem. Soc. 2010, 132 (5): 1699-1705. (Link: http://dx.doi.org/10.1021/ja908475v)
17. Tuning Electronic and Magnetic Properties of Wurtzite ZnO Nanosheets by Surface Hydrogenation
Qing Tang, Yafei Li, Zhen Zhou*, Yongsheng Chen, Zhongfang Chen*
ACS Appl Mater & Inter. 2010 , 2 (8 ): 2442-2447. (Link: http://dx.doi.org/10.1021/am100467j)
16. Two-dimensional polyphenylene: experimentally available porous graphene as A hydrogen purification membrane
Yafei Li, Zhen Zhou*, Panwen Shen, Zhongfang Chen*
Chem. Commun. 2010, 46 (21): 3672-3674. (Link: http://dx.doi.org/10.1166/jnn.2010.2934)
2009
15. Ca-Coated Boron Fullerenes and Nanotubes as Superior Hydrogen Storage Materials
Li, Ming, Yafei Li, Zhen Zhou*, Panwen Shen, Zhongfang Chen*
Nano. Lett. 2009, 9 (5): 1944-1948. (Link: http://dx.doi.org/10.1021/nl900116q)
14. Computational studies on hydrogen storage in aluminum nitride nanowires/tubes
Yafei Li, Zhen Zhou*, Panwen Shen, S. B. Zhang, Zhongfang Chen*
Nanotechnology 2009, 20 (21): 215701. (Link: http://dx.doi.org/10.1088/0957-4484/20/21/215701)
13. Do all wurtzite nanotubes prefer faceted ones?
Yafei Li, Zhen Zhou*, Yongsheng Chen, Zhongfang Chen*
J. Chem. Phys. 2009, 130 (20): 204706. (Link: http://dx.doi.org/10.1063/1.3140099)
12. Electronic Structure and Reactivity of Boron Nitride Nanoribbons with Stone-Wales Defects
Wei Chen, Yafei Li, Guangtao Yu, Zhen Zhou*, Zhongfang Chen*
J. Chem. Theor. Comput. 2009,5 (11): 3088-3095. (Link: http://dx.doi.org/10.1021/ct900388x)
11. Functionalization of BN nanotubes with free radicals: electroaffinity-independent configuration and band structure engineering
Zhenyu Yang, Yafei Li, Zhen Zhou*
Frontiers of Physics in China 2009,4 (3): 378-382. (Link: http://dx.doi.org/10.1007/s11467-009-0024-8)
10. How Different Are BN Nanotubes from Carbon Nanotubes?
Zhen Zhou*, Yafei Li
J. Comput. and Theor. Nanos. 2009,6 (2): 327-334. (Link: http://dx.doi.org/10.1166/jctn.2009.1039)
9. Spin Gapless Semiconductor-Metal-Half-Metal Properties in Nitrogen-Doped Zigzag Graphene Nanoribbons
Yafei Li, Zhen Zhou*, Panwen Shen, Zhongfang Chen*
ACS Nano 2009, 3 (7): 1952-1958. (Link: http://dx.doi.org/10.1021/nn9003428)
8. Structural and Electronic Properties of Graphane Nanoribbon
Yafei Li, Zhen Zhou*, Panwen Shen, Zhongfang Chen*
J. Phys. Chem. C 2009, 113 (33): 15043-15045. (Link: http://dx.doi.org/10.1021/jp9053499)
2008
7. CNx nanotubes with pyridinelike structures: p-type semiconductors and Li storage materials
Yafei Li, Zhen Zhou*, LB Wang
J. Chem. Phys. 2008, 129 (10): 104703. (Link: http://dx.doi.org/10.1063/1.2975237)
6. Electronic structures of SiC nanoribbons
Lian Sun, Yafei Li, Zhenyu Li, Qunxiang Li, Zhen Zhou, Zhongfang Chen, Jinlong Yang, Jianguo Hou
J. Chem. Phys. 2008, 129 (17): 174114. (Link: http://dx.doi.org/10.1063/1.3006431)
5. Functionalization of BN nanotubes with dichlorocarbenes
Yafei Li, Zhen Zhou*, Jijun Zhao*
Nanotechnology 2008, 19 (1): 015202. (Link: http://dx.doi.org/10.1088/0957-4484/19/01/015202)
4. MoS2 Nanoribbons: High Stability and Unusual Electronic and Magnetic Properties
Yafei Li, Zhen Zhou, Shengbai Zhang, Zhongfang Chen
J. Am. Chem. Soc. 2008, 130 (49): 16739-16744. (Link: http://dx.doi.org/10.1021/ja805545x)
3. Size- and surface-dependent stability, electronic properties, and potential as chemical sensors: Computational
studies on one-dimensional ZnO nanostructures
Zhen Zhou*, Yafei Li, Lu Liu, Yongsheng Chen, Shengbai Zhang, Zhongfang Chen*
J. Phys. Chem. C 2008, 112 (36): 13926-13931. (Link: http://dx.doi.org/10.1021/jp803273r)
2. Stone-wales defects in single-walled boron nitride nanotubes: Formation energies, electronic structures, and
reactivity
Yafei Li, Zhen Zhou*, Dmitri Golberg, Yoshio Bando, Paul von Rague Schleyer, Zhongfang Chen*
J. Phys. Chem. C 2008, 112 (5): 1365-1370. (Link: http://pubs.acs.org/doi/abs/10.1021/jp077115a)
2007
1. Transformation from chemisorption to physisorption with tube diameter and gas concentration: Computational
studies on NH3 adsorption in BN nanotubes
Yafei Li, Zhen Zhou, JiJun Zhao*
J. Chem. Phys. 2007, 127 (18): 184705. (Link: http://dx.doi.org/10.1063/1.2786112)