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ISSN 1000-6818CN 11-1892/O6CODEN WHXUEU
Acta Phys Chim Sin >> 2013,Vol.29>> Issue(02)>> 250-254     doi: 10.3866/PKU.WHXB201211141         中文摘要
THEORETICAL AND COMPUTATIONAL CHEMISTRY
First-Principles Study of Graphene-Based Biomolecular Sensor
ZOU Hui1, NI Xiang1, PENG Sheng-Lin1, OUYANG Jun1, CHEN Yu1, OUYANG Fang-Ping1,2
1 School of Physics and Electronics, Central South University, Changsha 410083, P. R. China;
2 Powder Metallurgy Research Institute, and State Key Laboratory of Powder Metallurgy, Changsha 410083, P. R. China
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First-principles calculations were applied to design and study the electron transport behavior of a biomolecular sensor with graphene-based electrodes. It is shown that the designed biosensor is capable of distinguishing different nucleotide molecules such as cytosine, methylcytosine, and hydroxymethylcytosine. The current was seen to change by nearly one order of magnitude, while molecules passed through the device individually. The resolution capacity of the present device was primarily determined by the interactions and specific configurations of two adjacent single-stranded desoxyribonucleic acid (DNA) molecules and their specific configurations. This graphene-based biosensor was proved to be effective and efficient in detecting and distinguishing different DNA molecules, which provides a new potential method to pinpoint exactly varietal base molecules in DNAchains for the genetic information.



Keywords: First-principles   Graphene   Methylcytosine   Hydroxymethylcytosine   Transverse conductance  
Received: 2012-09-08 Accepted: 2012-11-13 Publication Date (Web): 2012-11-14
Corresponding Authors: Email: oyfp04@mails.tsinghua.edu.cn

Fund: The project was supported by the National Natural Science Foundation of China (51272291, 21103232, 11104356), Natural Science Foundation of Hunan Province, China, (11JJ4001), China Postdoctoral Science Foundation (2012M511399), Science and Technology Program of Hunan Province, China (2012RSJ4009), and Postdoctoral Seience Foundation of Central South University, China (201202025).

Cite this article: ZOU Hui, NI Xiang, PENG Sheng-Lin, OUYANG Jun, CHEN Yu, OUYANG Fang-Ping. First-Principles Study of Graphene-Based Biomolecular Sensor[J]. Acta Phys. -Chim. Sin., 2013,29 (02): 250-254.    doi: 10.3866/PKU.WHXB201211141

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82. FAN Cheng-Wei, ZHANG Xin, CHEN Sheng, WANG Hai-Fang, CAO Ao-Neng.Solution-Processable, Highly Conductive, Permanently Rippled Graphene Sheets[J]. Acta Phys. -Chim. Sin., 2012,28(10): 2465-2470
83. LING Xi, ZHANG Jin.Investigation of the Adsorption Behavior of PbPc on Graphene by Raman Spectroscopy[J]. Acta Phys. -Chim. Sin., 2012,28(10): 2355-2362
84. ZHENG Zhao-Yang, ZHAO Ji-Jun.Lattice Energies and Elastic Properties of Solid Methane: Assessment of Different Density Functionals[J]. Acta Phys. -Chim. Sin., 2012,28(08): 1809-1814
85. LAN Zhi-Qiang, XIAO Xiao, SU Xin, CHEN Jie-Shi, GUO Jin.Effect of Doping with Aluminium on the Electronic Structure and Hydrogen Storage Properties of Mg2Ni Alloy[J]. Acta Phys. -Chim. Sin., 2012,28(08): 1877-1884
86. ZHANG Jun-Jun, ZHANG Zhen-Hua, GUO Chao, LI Jie, DENG Xiao-Qing.Electronic Transport Properties for a Zigzag-Edged Triangular Graphene[J]. Acta Phys. -Chim. Sin., 2012,28(07): 1701-1706
87. SHEN Bao-Shou, FENG Wang-Jun, LANG Jun-Wei, WANG Ru-Tao, TAI Zhi-Xin, YAN Xing-Bin.Nitric Acid Modification of Graphene Nanosheets Prepared by Arc- Discharge Method and Their Enhanced Electrochemical Properties[J]. Acta Phys. -Chim. Sin., 2012,28(07): 1726-1732
88. XU Wen-Jie, HU Zi-Yu, SHAO Xiao-Hong.Density Functional Theory Study on Li-Decorated B12N12 Cage for Hydrogen Storage Behavior[J]. Acta Phys. -Chim. Sin., 2012,28(07): 1721-1725
89. RAN Ke, CHEN Qing, ZUO Jian-Min.Fabrication and Structure Characterization of Quasi-2-Dimensional Amorphous Carbon Structures[J]. Acta Phys. -Chim. Sin., 2012,28(07): 1551-1555
90. ZHANG Xiao, YANG Rong, WANG Chen, HENG Cheng-Lin.Cell Biocompatibility of Functionalized Graphene Oxide[J]. Acta Phys. -Chim. Sin., 2012,28(06): 1520-1524
91. TIAN Xiang-Gui, ZHANG Yue, YANG Tai-Sheng.First-Principles Study of H2 Dissociative Adsorption Reactions on WO3 Surfaces[J]. Acta Phys. -Chim. Sin., 2012,28(05): 1063-1069
92. LIU Bo, SUN Hong-Juan, PENG Tong-Jiang.Factor Group Analysis of Molecular Vibrational Modes of Graphene and Density Functional Calculations[J]. Acta Phys. -Chim. Sin., 2012,28(04): 799-804
93. JIN Yu, CHEN Hong-Yuan, CHEN Ming-Hai, LIU Ning, LI Qing-Wen.Carbon Nanotube/Polyaniline/Graphene Composite Paper and Its Electrochemical Capacitance Behaviors[J]. Acta Phys. -Chim. Sin., 2012,28(03): 609-614
94. XIE Peng-Yang, ZHUANG Gui-Lin, LÜ Yong-An, WANG Jian-Guo, LI Xiao-Nian.Enhanced Bonding between Noble Metal Adatoms and Graphene with Point Defects[J]. Acta Phys. -Chim. Sin., 2012,28(02): 331-337
95. XU Ke, SHEN Lai-Fa, MI Chang-Huan, ZHANG Xiao-Gang.Synthesis and Electrochemical Performance of Graphene Modified LiFePO4 Cathode Materials[J]. Acta Phys. -Chim. Sin., 2012,28(01): 105-110
96. ZHANG Xiao-Yan, SUN Ming-Xuan, SUN Yu-Jun, LI Jing, SONG Peng, SUN Tong, CUI Xiao-Li.Photoelectrochemical Properties of Graphene Oxide Thin Film Electrodes[J]. Acta Phys. -Chim. Sin., 2011,27(12): 2831-2835
97. TANG Jun, KANG Chao-Yang, LI Li-Min, XU Peng-Shou.Direct Graphene Growth by Depositing Carbon Atoms on Si Substrate Covered by SiC Buffer Layers[J]. Acta Phys. -Chim. Sin., 2011,27(12): 2953-2959
98. YANG Xiao-Wei, HE Yu-Shi, LIAO Xiao-Zhen, MA Zi-Feng.Improved Graphene Film by Reducing Restacking for Lithium Ion Battery Applications[J]. Acta Phys. -Chim. Sin., 2011,27(11): 2583-2586
99. ZHANG Fu-Chun, ZHANG Wei-Hu, DONG Jun-Tang, ZHANG Zhi-Yong.Electronic Structure and Magnetism of Ni-Doped ZnO Nanowires[J]. Acta Phys. -Chim. Sin., 2011,27(10): 2326-2332
100. LU Xiang-Jun, DOU Hui, YANG Su-Dong, HAO Liang, ZHANG Fang, ZHANG Xiao-Gang.Fabrication and Electrochemical Capacitive Behavior of Freestanding Graphene/Polyaniline Nanofibre Film[J]. Acta Phys. -Chim. Sin., 2011,27(10): 2333-2339
101. YUAN Wen-Hui, LI Bao-Qing, LI Li.Superior Graphene for Hydrogen Adsorption Prepared by the Improved Liquid Oxidation-Reduction Method[J]. Acta Phys. -Chim. Sin., 2011,27(09): 2244-2250
102. MIN Shi-Xiong, Lü Gong-Xuan.Preparation of CdS/Graphene Composites and Photocatalytic Hydrogen Generation from Water under Visible Light Irradiation[J]. Acta Phys. -Chim. Sin., 2011,27(09): 2178-2184
103. LIANG Wei-Hua, WANG Xiu-Li, DING Xue-Cheng, CHU Li-Zhi, DENG Ze-Chao, FU Guang-Sheng, WANG Ying-Long.Stability and Electronic Structures of Au-Doped Silicon Nanowires[J]. Acta Phys. -Chim. Sin., 2011,27(07): 1615-1620
104. DING Ying-Chun, XIAO Bing.Electronic Structure, Mechanical Properties and Intrinsic Hardness of a New Superhard Material BeP2N4[J]. Acta Phys. -Chim. Sin., 2011,27(07): 1621-1632
105. YING Hong, WANG Zhi-Yong, GUO Zheng-Duo, SHI Zu-Jin, YANG Shang-Feng.Reduced Graphene Oxide-Modified Bi2WO6 as an Improved Photocatalyst under Visible Light[J]. Acta Phys. -Chim. Sin., 2011,27(06): 1482-1486
106. ZHANG Yi, CHEN Biao, YANG Zu-Pei, ZHANG Zhi-Jun.Controlled Synthesis and Characterization of the Structure and Property of Fe3O4 Nanoparticle-Graphene Oxide Composites[J]. Acta Phys. -Chim. Sin., 2011,27(05): 1261-1266
107. SUN Da-Li, PENG Sheng-Lin, OUYANG Jun, OUYANG Fang-Ping.Electronic Transport Properties of Graphene Nanoribbons with Nanoholes[J]. Acta Phys. -Chim. Sin., 2011,27(05): 1103-1107
108. LI Yun-Xia, WEI Zi-Dong, ZHAO Qiao-Ling, DING Wei, ZHANG Qian, CHEN Si-Guo.Preparation of Pt/Graphene Catalyst and Its Catalytic Performance for Oxygen Reduction[J]. Acta Phys. -Chim. Sin., 2011,27(04): 858-862
109. YANG Yong-Hui, SUN Hong-Juan, PENG Tong-Jiang, HUANG Qiao.Synthesis and Structural Characterization of Graphene-Based Membranes[J]. Acta Phys. -Chim. Sin., 2011,27(03): 736-742
110. LI Min-Jie, LIU Wei-Xia, PENG Chun-Rong, LU Wen-Cong.A First-Principles Method for Predicting Redox Potentials of Nucleobases and the Metabolites in Aqueous Solution[J]. Acta Phys. -Chim. Sin., 2011,27(03): 595-603
111. DAI Xian-Qi, LI Yan-Hui, ZHAO Jian-Hua, TANG Ya-Nan.Effects of Vacancy and Boron Doping on Si Adsorption on Graphene[J]. Acta Phys. -Chim. Sin., 2011,27(02): 369-373
112. ZHANG Xiao-Chao, FAN Cai-Mei, LIANG Zhen-Hai, HAN Pei-De.Electronic Structures and Optical Properties of Ilmenite-Type Hexagonal ZnTiO3[J]. Acta Phys. -Chim. Sin., 2011,27(01): 47-51
113. WU Xiao-Qin, ZONG Rui-Long, MU Hao-Jie, ZHU Yong-Fa.Cataluminescence Performance on Catalysts of Graphene Supported Platinum[J]. Acta Phys. -Chim. Sin., 2010,26(11): 3002-3008
114. HU Yao-Juan, JIN Juan, ZHANG Hui, WU Ping, CAI Chen-Xin.Graphene: Synthesis, Functionalization and Applications in Chemistry[J]. Acta Phys. -Chim. Sin., 2010,26(08): 2073-2086
115. WEN Zhu-Liang, YANG Su-Dong, SONG Qi-Jun, HAO Liang, ZHANG Xiao-Gang.High Activity of Pd/Graphene Catalysts for Ethanol Electrocatalytic Oxidation[J]. Acta Phys. -Chim. Sin., 2010,26(06): 1570-1574
116. LI Guang-Xu, CHEN Xiao-Wei, BAI Jia-Dong, LAN Zhi-Qiang, GUO Jin.Adsorption and Diffusion of H on Mg2Ni(100) Surface[J]. Acta Phys. -Chim. Sin., 2010,26(05): 1448-1456
117. GAN Lin, LIU Song, LI Dan-Na, GU Hang, CAO Yang, SHEN Qian, WANG Zhen-Xing, WANG Qing, GUO Xue-Feng.Facile Fabrication of the Crossed Nanotube-Graphene Junctions[J]. Acta Phys. -Chim. Sin., 2010,26(04): 1151-1156
118. YUN Jiang-Ni, ZHANG Zhi-Yong.Effect of In and Sc Doping on the Electronic Structure and Optical Properties of SrTiO3[J]. Acta Phys. -Chim. Sin., 2010,26(03): 751-757
119. LIANG Zhen-Hai, DING Yong-Bo, FAN Cai-Mei, HAO Xiao-Gang, HAN Pei-De.Formation Energy and Electronic Structure of a Sn1-xSbxO2 Solid Solution Electrode[J]. Acta Phys. -Chim. Sin., 2010,26(03): 758-762
120. TANG Jun, LIU Zhong-Liang, KANG Chao-Yang, YAN Wen-Sheng, XU Peng-Shou, PAN Hai-Bin, WEI Shi-Qiang, GAO Yu-Qiang, XU Xian-Gang.Annealing Time Dependence of Morphology and Structure of Epitaxial Graphene on 6H-SiC(0001) Surface[J]. Acta Phys. -Chim. Sin., 2010,26(01): 253-258
121. LIU Jian-Cai, ZHANG Xin-Ming, CHEN Ming-An, TANG Jian-Guo, LIU Sheng-Dan.Electrochemical Dissolution Trends of Pb-Containing Al Alloy Surfaces[J]. Acta Phys. -Chim. Sin., 2010,26(01): 163-168
122. CHEN Qi-Li, TANG Chao-Qun.First-Principles Calculations on Electronic Structures of N/F-Doped and N-F-Codoped TiO2 Anatase (101) Surfaces[J]. Acta Phys. -Chim. Sin., 2009,25(05): 915-920
123. DU Ye-Ping; CHEN Jing-Chao; FENG Jing.Mechanical Properties and Electronic Structures of Various SnO2 Crystal Structures[J]. Acta Phys. -Chim. Sin., 2009,25(02): 278-284
124. ZHAO Qing-Xun; GENG Bo; WANG Shu-Biao; BIAN Fang; GUAN Li; LIU Bao-Ting.Effect of Hydrogen on the Ferroelectric Properties of PbZr0.5Ti0.5O3 during Forming Gas Annealing[J]. Acta Phys. -Chim. Sin., 2009,25(01): 183-186
125. WU Guang-Xin; ZHANG Jie-Yu; WU Yong-Quan; LI Qian; CHOU Kuo-Chih; BAO Xin-Hua.First-Principle Calculations of the Adsorption, Dissociation and Diffusion of Hydrogen on the Mg(0001) Surface[J]. Acta Phys. -Chim. Sin., 2008,24(01): 55-60
126. CHEN Kun; FAN Guang-Han; ZHANG Yong; DING Shao-Feng.First-Principle Calculation of Nitrogen-Doped p-Type ZnO[J]. Acta Phys. -Chim. Sin., 2008,24(01): 61-66
127. ZHANG Li-Min; FAN Guang-Han; DING Shao-Feng.First-principles Calculation of AlN Electronic Structure by Doping with Mg and Zn[J]. Acta Phys. -Chim. Sin., 2007,23(10): 1498-1502
128. TIAN Meng-Kui; JIANG Li; SHANGGUAN Wen-Feng; WANG Shi-Jie2;OUYANG Zi-Yuan.Electronic Structures of the Visible-light Driven Photocatalysts K4Ce2Ta10O30, K4Ce2Nb10O30 and Their Solid Solution Compounds[J]. Acta Phys. -Chim. Sin., 2007,23(04): 466-472
129. LI Guang-Yong, WU Xiao-Han, HE Wei-Na, FANG Jian-Hui, ZHANG Xue-Tong.Controlled Assembly of the Graphene-based Aerogel[J]. Acta Phys. -Chim. Sin., 0,(): 0-0
130. WANG Cheng-Xian, YU Fei, MA Jie.Applications of Graphene-based Hybrid Material as Electrodes in Microbial Fuel Cells[J]. Acta Phys. -Chim. Sin., 0,(): 0-0
131. ZHU Jie-Jun, SUN Hai-Bin, WU Yao-Zheng, WAN Jian-Guo, WANG Guang-Hou.Graphene: Synthesis, Characterization and Application in Transparent Conductive Films[J]. Acta Phys. -Chim. Sin., 0,(): 0-0
132. WANG Yun-Jing, LIU Ying-Qiu, GAO Xiu-Xiu, ZHAN Yan-Shan, PAN Li-Yang, ZHANG Wen-Kai, FANG Xiao-Min.Surface Defects Passivation of Graphene Quantum Dots by Amino Functionalization and its Photoluminescence Emission Enhancement[J]. Acta Phys. -Chim. Sin., 0,(): 0-0
133. LIANG Jia-Xu, XIAO Zhi-Chang, ZHI Lin-Jie.Graphenal Polymers: 3D Carbon-rich Polymers as Energy Materials with both Electronic and Ionic Transport Path[J]. Acta Phys. -Chim. Sin., 0,(): 0-0
134. XIA Kai-Lun, JIAN Mu-Qiang, ZHANG Ying-Ying.Advances in Flexible Conductors Based on Nanocarbon Materials[J]. Acta Phys. -Chim. Sin., 0,(): 0-0
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