Publications | Awards

Publications

2016

(62) Cuicui Ge, Ge Fang, Xiaomei Shen, Yu Chong, Wayne G. Wamer, Xingfa Gao*, Zhifang Chai, Chunying Chen*, Jun-Jie Yin*, Facet Energy versus Enzyme-like Activities: The Unexpected Protection of Palladium Nanocrystals against Oxidative Damage, ACS Nano, 2016, 10, 10436–10445.

(61) Gaoyin Wu, Xuejiao Gao, Joonkyung Jang, Xingfa Gao*, Fullerenes and their derivatives as inhibitors of tumor necrosis factor-α with highly promoted affinities, J. Mol. Model. 2016, 22 (161).

(60)Xuejiao Gao, Xiaomei Shen, Bo-Zhen Chen*, andXingfa Gao*, Improved Description for the Structures of Fullerenols C₆₀(OH)_n(n= 12−48) andC_2v(9)−C₈₂(OH)_x(_x= 14−58),J. Phys. Chem. C2016, 120 (21), 11709-1715.

(59) Xuejiao Gao, Bo-Zhen Chen, Xingfa Gao*, Isolated aromatic patches as a rule to select metallofullerene multiple adducts with high chemical stabilities, Carbon,2016, 96, 980-986.

2015

(58) Xiaomei Shen, Wenqi Liu, Xuejiao Gao, Zhanghui Lu, Xiaochun Wu,* and Xingfa Gao*，Mechanisms of Oxidase and Superoxide Dismutation-like Activities of Gold, Silver, Platinum, and Palladium, and Their Alloys: A General Way to the Activation of Molecular Oxygen，J. Am. Chem. Soc. 2015, 137, 15882–15891.

(57) Xuejiao Gao, Baoyun Sun, Yuliang Zhao, Bozhen Chen* and Xingfa Gao*, Divalent Metals Can Reside on Bonds in Fullerenes, Dalton Trans. 2015, 44, 9561-9568.

(56) Junnan Li, Wenqi Liu, Xiaochun Wu*, Xingfa Gao*, Mechanism of pH-switchable peroxidase and catalase-like activities of gold, silver, platinum and palladium, Biomaterials 2015, 48, 37-44.

(55) Zhenzhen Wang, Zhanghui Lu,* Yuliang Zhao, Xingfa Gao,* Oxidation-induced water-solubilization and chemical functionalization of fullerenes C60, Gd@C60 and Gd@C82: atomistic insights into the formation mechanisms and structures of fullerenols synthesized by different methods, Nanoscale 2015, 7, 2914-2925 (Outside back cover). 

(54) Zhenzhen Wang, Zhanghui Lu,* Shukuan Wang, Xingfa Gao*, Syntheses, structures and antioxidant activities of fullerenols: knowledge learned at the atomistic level, Journal of Cluster Science, 2015, accepted (Invited review paper). 

(53) Ruisheng Zhao, Xiang Zhao,* Xingfa Gao,* Molecular-Level Insights into Intrinsic Peroxidase-Like Activity of Nanocarbon Oxides, Chemistry - A European Journal 2015, 21, 960–964 (frontispiece).

(52) Liu Y, Qian P, Chen C, Lu X, Sun B, Zhang X, Wang L, Gao X, Li H, Chen Z, Tang J, Zhang W, Dong J, Bai R, Lobie PE, Wu Q, Liu S, Zhang H, Zhao F, Wicha MS, Zhu T*, Zhao Y*. Gd-metallofullerenol nanomaterial nanomaterial as non-toxic cancer stem cell specific inhibitor. Nat Commun. 2015, in press.

2014 

(51) Zhenzhen Wang, Xueling Chang, Zhanghui Lu, Min Gu, Yuliang Zhao,* Xingfa Gao,* A Precision Structural Model for Fullerenols, Chem. Sci., 2014, 5, 2940-2948. (Outside front cover. Highlights: http://www.materialsviews.com/computations-experiments-predict-precision-structural-model-fullerenols; http://www.materialsviewschina.com/2014/07/ji-suan-he-shi-yan-yu-ce-fu-le-chun-di-zhun-que-jie-gou-mo-xing)　

(50) Dongmei Yue, Rongli Cui, Xiaolin Ruan, Huan Huang, Xihong Guo, Zhenzhen Wang, Xingfa Gao,* Shangyuan Yang, Jinquan Dong, Futing Yi, Baoyun Sun*, A novel organic electrical memory device based on the metallofullerene-grafted polymer (Gd@C82-PVK), Organic Electronics 12/2014; 15(12):3482–3486. 

(49) Youde Wang, Zhenzhen Wang, Xihong Guo, Rongli Cui, Xingfa Gao, Shangyuan Yang, Fei Chang, Jinquan Dong, Baoyun Sun,* Synthesis and characterization of C70-corrole--a new electron transfer dyad. Journal of Nanoscience and Nanotechnology 07/2014; 14(7):5370-4. 

(48) Xin Liu,* Y. Y. Sun, D. West, Xingfa Gao, S. B. Zhang, Modulation of the Band Gap Increase in Nanocrystals by Surface Passivation, The Journal of Physical Chemistry C 2014, 118(25):14026–14030. 

(47) Jingyuan Li,* Xiaofeng Wang, Lina Zhao, Xingfa Gao, Yuliang Zhao, Ruhong Zhou,* Rotation motion of designed nano-turbine. Scientific reports. 01/2014; 4:5846. 

(46) Ying Wang, Xingfa Gao, Hu-Jun Qian, Yasuhito Ohta, Xiaona Wu, Gyula Eres, Keiji Morokuma,* Stephan Irle,*　Quantum chemical simulations reveal acetylene-based growth mechanisms in the chemical vapor deposition synthesis of carbon nanotubes, Carbon, 2014, 72, 22-37.　　

(45) Hejiang Zhoua, Bo Zhang, Jiajia Zheng, Meifang Yu, Teng Zhou, Kai Zhao, Yanxia Jia, Xingfa Gao,* Chunying Chen,* Taotao Wei,*  The inhibition of migration and invasion of cancer cells by graphene via the impairment of mitochondrial respiration, Biomaterials, 2014，35,1597-1607.

(44) Yan Su, Xingfa Gao, Jijun Zhao*, "Reaction mechanisms of graphene oxide chemical reduction by sulfer-containing compounds".Carbon, 2014, 67,146-155.

2013

(43) Xingfa Gao, Yuliang Zhao, and Zhongfang Chen, "From Graphene to Graphene oxide and Back". Chapter13 in Book "Graphene Chemistry", Edited by De-en Jiang and Zhongfang Chen, 2013 John Wiley & Sons, Ltd. (book chapter)

(42) Dihua Wu, Xingfa Gao, Zhen Zhou, and Zhongfang Chen, "Understanding aromaticity of Graphene and Graphene Nanoribbons by the Clar Sextet Rule". Chapter3 in Book "Graphene Chemistry", Edited by De-en Jiang and Zhongfang Chen, 2013 John Wiley & Sons, Ltd. (book chapter)

(37) Xin Liu, Lin Li, Bo Liu, Dongqi Wang,* Yuliang Zhao‡ and Xingfa Gao* Theoretical Study on the Ground State Structure of a Uranofullerene U@C82, J. Phys. Chem. A 2012, 116, 11651–11655.

(36) Jilan Long, Liming Wang, Xingfa Gao, Cuihua Bai, Huanfeng Jiang and Yingwei Li. Activation of molecular oxygen by a metal–organic framework with open 2,2′-bipyridine for selective oxidation of saturated hydrocarbons, Chem. Commun., 2012,48, 12109-12111.

(35) Wendi Zhang, Chi Wang, Zhongjun Li, Zhenzhen Lu, Yiye Li, Jun-Jie Yin, Yu-Ting Zhou, Xingfa Gao, Ying Fang, Guangjun Nie and Yuliang Zhao Unraveling Stress-Induced Toxicity Properties of Graphene Oxide and the Underlying Mechanism, Adv. Mater. 2012, 5391–5397 (cover article).

(34) Y. Y. Sun, W. Y. Ruan, Xingfa Gao, Junhyeok Bang, Yong-Hyun Kim, Kyuho Lee, D. West, Xin Liu, T.-L. Chan, M. Y. Chou, S. B. Zhang, "Phase diagram of graphene nanoribbons and band-gap bifurcation of Dirac fermions under quantum confinement", Phys. Rev. B 2012, 85, 195464.

(33) Liang Yan, Yue Bing Zheng, Feng Zhao, Shoujian Li, Xingfa Gao, Bingqian Xu, Paul S. Weiss, Yuliang Zhao "Chemistry and physics of a single atomic layer: strategies and challenges for functionalization of graphene and graphene-based materials" Chem. Soc. Rev., 2012, 41, 97-114. (Review)

(32) Xingfa Gao,* Yuliang Zhao, Bo Liu, Hongjun Xiang, Shengbai B. Zhang* "Π-Bond Maximization of Graphene in Hydrogen Addition Reactions" Nanoscale, 2012, 4, 1171-1176.

(31) Lizhao Liu, Lu Wang, Junfeng Gao, Jijun Zhaoa, Xingfa Gao, Zhongfang Chen "Amorphous structural models for graphene oxides" Carbon 2012, 50, 1690–1698.

2011

(30) Xingfa Gao, Ying Wang, Xin Liu, T.-L. Chan, Stephan Irle, Yuliang Zhao, Shengbai B. Zhang "Regioselectivity Control of Graphene Functionalization by Ripples" Phys. Chem. Chem. Phys. 2011, 13, 19449–19453

(29) Xingfa Gao, Jennifer L. Hodgson, De-en Jiang, Shengbai B. Zhang, Shigeru Nagase, Glen P. Miller, Zhongfang Chen "Open-Shell Singlet Character of Stable Derivatives of Nonacene, Hexacene and Teranthene" Org. Lett. 2011, 13, 3316-3319.

(28) Xingfa Gao, De-en Jiang, Yuliang Zhao, Shigeru Nagase, S. B. Zhang, Zhongfang Chen "Theoretical Insights into the Structures of Graphene Oxide and Its Chemical Conversions between Graphene" J. Comput. Theor. Nanosci., 2011, 8, 2406-2422. (invited review)

(27) Shabeer Ahmad Mian, Xingfa Gao, Shigeru Nagase, Joonkyung Jang "Adsorption of Catechol on a Wet Silica Surface: Density Functional Theory Study" Theor. Chem. Acc. 2011, 130, 333.

2010

(26) De-en Jiang, Xingfa Gao, Shigeru Nagase, Zhongfang Chen "Properties of π-Electrons in Graphene Nanoribbons and Nanographenes". A chapter in Book "Chemistry in Nanocarbons", Edited by Takeshi Akasaka, Fred Wudl and Shigeru Nagase, 2010 John Wiley & Sons, Ltd. (book chapter)

(25) Xingfa Gao, S. B. Zhang, Yuliang Zhao, Shigeru Nagase "Nanoscale Jigsaw-Puzzle Approach for Large π-Conjugated Systems" Angew. Chem. Int. Ed. 2010, 49, 6764–6767. (hot paper on Aug 26, 2010)

(24) Xingfa Gao, Lili Liu, Stephan Irle, Shigeru Nagase "Carbon Spiral Helix: A Nanoarchitecture Derived from Monovacancy Defects in Graphene" Angew. Chem. Int. Ed. 2010, 49, 3200.

(23) Junko Nagatsuka, Sachie Sugitani, Masahiro Kako, Tsukasa Nakahodo, Naomi Mizorogi, Midori O. Ishitsuka, Yutaka Maeda, Takahiro Tsuchiya, Takeshi Akasaka, Xingfa Gao, Shigeru Nagase "Photochemical Addition of C60 with Siliranes: Synthesis and Characterization of Carbosilylated and Hydrosilylated C60 Derivatives" J. Am. Chem. Soc. 2010, 132, 12106–12120.

(22) Shabeer A. Mian, Leton C. Saha, Joonkyung Jang, Lu Wang, Xingfa Gao, Shigeru Nagase "Density Functional Theory Study of Catechol Adhesion on Silica Surfaces" J. Phys. Chem. C 2010, 114, 20793–20800.

(21) Xingfa Gao, Joonkyung Jang, Shigeru Nagase "Hydrazine and Thermal Reduction of Graphene Oxide: Reaction Mechanisms, Product Structures, and Reaction Design" J. Phys. Chem. C 2010, 114, 832.

(20) Lu Wang, Xingfa Gao, Xin Yan, Jing Zhou, Jing Lu, Zhengxiang Gao, Shigeru Nagase, Stefano Sanvito, Yutaka Maeda, Takeshi Akasaka, Wai Ning Mei "Half-Metallic Sandwich Molecular Wires with Negative Differential Resistance and Sign-Reversible High Spin-filter Efficiency" J. Phys. Chem. C 2010, 114, 21893–21899.

2009

(19) Xingfa Gao, Kazuya Ishimura, Shigeru Nagase and Zhongfang Chen "Dichlorocarbene Addition to C60 from the Trichloromethyl Anion: Carbene Mechanism or Bingel Mechanism?" J. Phys. Chem. A, 2009, 113, 3673.

(18) Long Chen, Lu Wang, Xingfa Gao, Shigeru Nagase, Yoshihito Honsho, Akinori Saeki, Shu Seki, Donglin Jiang "The non-covalent assembly of benzene-bridged metallosalphen dimers: photoconductive tapes with large carrier mobility and spatially distinctive conduction anisotropy", Chem. Commun. 2009, 3119.

(17) Xingfa Gao, Lu Wang, Yuhki Ohtsuka, De-en Jiang, Yuliang Zhao, Shigeru Nagase and Zhongfang Chen "Oxidation Unzipping of Stable Nanographenes into Joint Spin-Rich Fragments" J. Am. Chem. Soc., 2009, 131, 9663.

(16) Xingfa Gao, Yuhki Ohtsuka, Kazuya Ishimura, Shigeru Nagase "Mechanism and Dynamic Correlation Effects in Cycloaddition Reactions of Singlet Difluorocarbene to Alkenes and Disilene" J. Phys. Chem. A, 2009, 113, 9852.

2008

(15) Xingfa Gao, Zhen Zhou, Yuliang Zhao, Shigeru Nagase, S. B. Zhang and Zhongfang Chen "Comparative Study of Carbon and BN Nanographenes: Ground Electronic States and Energy Gap Engineering" J. Phys. Chem. C 2008, 112, 12677. (cover article)

(14) Tsukasa Nakahodo, Mitsunori Okada, Hiroyuki Morita, Toshiaki Yoshimura, Midori O. Ishitsuka, Takahiro Tsuchiya, Yutaka Maeda, Hisashi Fujihara, Takeshi Akasaka, Xingfa Gao, Shigeru Nagase "[2+1] Cycloaddition of Nitrene onto C60 Revisited: Interconversion between an Aziridinofullerene and an Azafulleroid" Angew. Chem. Int. Ed. 2008, 47, 1298.

2007

(13) Xingfa Gao, Yuliang Zhao "The way of stabilizing non-IPR fullerenes and structural elucidation of C54Cl8" J. Comput. Chem. 2007, 28, 795.

(12) Tongxiang Ren, Baoyun Sun, Zhenling Chen, Li Qu, Hui Yuan, Xingfa Gao, Shukuan Wang, Rui He, Feng Zhao, Yuliang Zhao, Zhongshi Liu, and Xiping Jing "Photochemical and Photophysical Properties of Three Carbon-Bridged Fullerene Dimers: C121 (I, II, III)" J. Phys. Chem. B, 2007, 111, 6344.

(11) Wenbin Cao, Xingfa Gao, Li Qu, Zhenling Chen, Gengmei Xing, Jun Tang, Huan Meng, Zhen Chen, Yuliang Zhao "Neutron-Irradiation Catalyzed Synthesis of Novel Carbon Nanomaterials" J. Radioanal. Nucl. Chem. 2007, 272, 611.

2006 and before

(10) Xingfa Gao, Yuliang Zhao, Hui Yuana, Zhenling Chen and Zhifang Chai "Theoretical study of a hybrid type dumbbell-like fullerene dimer C60=C=C70" Chem. Phys. Lett. 2006, 418, 24.

(9) Jun Tang, Gengmei Xing, Yuliang Zhao, Long Jing, Xingfa Gao, Yue Cheng, Hui Yuan, Feng Zhao, Zhen Chen, Huan Meng, Hui Zhang, Haijie Qian, Run Su, and Kurash Ibrahim "Periodical Variation of Electronic Properties in Polyhydroxylated Metallofullerene Materials" Adv. Mater. 2006, 18, 1458.

(8) Jun Tang, Gengmei Xing, Hui Yuan, Wenbin Cao, Long Jing, Xingfa Gao, Li Qu, Yue Cheng, Chang Ye, Yuliang Zhao, Zhifang Chai, Kurash Ibrahim, Haijie Qian, and Run Su "Tuning Electronic Properties of Metallic Atom in Bondage to a Nanospace" J. Phys. Chem. B 2005, 109, 8779.

(7) Yuliang Zhao, Zhenling Chen, Hui Yuan, Xingfa Gao, Li Qu, Zhifang Chai, Gengmei Xing, Soichiro Yoshimoto, Eishi Tsutsumi, and Kingo Itaya "Highly Selective and Simple Synthesis of C2m−X−C2n Fullerene Dimers" J. Am. Chem. Soc. 2004, 126, 11134.

(6) Xingfa Gao, Hui Yuan, Zhenling Chen, Yuliang Zhao "Theoretical studies of structures and stabilities of a new odd-numbered fullerene dimer: C141" J. Comput. Chem. 2004, 25, 2023.

(5) Gengmei Xing, Jun Zhang, Yuliang Zhao, Jun Tang, Bo Zhang, Xingfa Gao, Hui Yuan, Li Qu, Wenbing Cao, Zhifang Chai, Kurash Ibrahim, and Rui Su "Influences of Structural Properties on Stability of Fullerenols" J. Phys. Chem. B, 2004, 108, 11473.

(4) Zhenling Chen, Yuliang Zhao, Li Qu, Xingfa Gao, Jun Zhang, Hui Yuan, Zhifang Chai, Gengmei Xing, Yue Cheng "Synthesis of new carbon nanomolecule: C141" Chinese Science Bulletin 2004, 49, 793.

(3) Hai-Fang Wang, Xiao-Yong Deng, Jing Wang, Xingfa Gao, Gengmei Xing, ZuJin Shi, Zhennan Gu, Yuanfang Liu, Yuliang Zhao "XPS Study of C－I Covalent Bond on Single-walled Carbon Nanotubes (SWNTs)" Acta Physico-Chimica Sinica, 2004, 20, 673-675.

(2) Li Qu, Yuliang Zhao, Zhenling Chen, Xingfa Gao, Zhifang Chai, Jun Zhang, Gengmei Xing, "Analogies between nuclear clusters and fullerene cages" Nuclear Physics A, 2004, 738, 459.

(1) Yun Cai, Jinglan Wang, Wantao Ying, Heyi Yang, Shangyi Liu, Xiaohong Qian, Zhenling Chen, Li Qu, Jun Zhang, Yuliang Zhao, Xingfa Gao, Zhifang Chai "Analysis of Carbon Nano-Network Materials by Direct Laser Time of Flight Mass Spectrometry" Journal of Chinese Mass Spectrometry Society, 2003, 24, 321-325. (In Chinese)

Awards

2014.06  高雪皎和王真真同学荣获第七届计算纳米科学与新能源材料国际研讨会优秀墙报奖（共10名获奖者，两位获得票数分列第1和第3名）。

2013.11  李军男获第三届全国纳米生物效应与毒理学会议优秀墙报奖1等奖

2013.07  李军男获第七届全国配位化学会议优秀墙报奖3等奖。