所属专题: 计算化学
• 量子化学专辑 •
吴梦昊, 戴军, 曾晓成*. 基于从头计算法的三维碳同素异形体结构设计[J]. 化学进展, 2012, 24(06): 1050-1057.
Wu Menghao, Dai Jun, Zeng Xiaocheng. Ab Initio Computation Based Design of Three-Dimensional Structures of Carbon Allotropes[J]. Progress in Chemistry, 2012, 24(06): 1050-1057.
中图分类号:
分享此文:
[1] Hirsch A. Nat. Maters., 2010, 9: 868-871[2] Rode A V, Gamaly E G, Luther-Davies B. Appl. Phys. A 2000, 70: 135-144[3] Kroto H W, Heath J R, O'Brien S C, Curl R F, Smalley R E. Nature, 1985,318(6042): 162-163[4] Iijima S. Nature, 1991,354(6348): 56-58[5] Novoselov K S, Geim A K, Morozov S V, Jiang D, Zhang Y, Dubonos S V, Grigorieva I V, Firsov A A. Science, 2004,306(5696): 666-669[6] Guldi D M, IIIescas B M, Atienza C M, Wielopolski M, Martin N. Chem. Soc. Rev., 2009, 38: 1587-1597[7] Neto A H C, Guinea F, Peres N M R, Novoselov K S, Geim A K. Rev. Mod. Phys.,2009, 81: 109-162[8] Coleman J N, Khan U, Blau W J, Gunko Y K. Carbon, 2006, 44(9): 1624-1652[9] http: //www. kentchemistry. com/links/bonding/network. htm[10] http: //worldscheaper. com/diamond-structure. html/diamond-crystal-structure[11] http: //en. wikipedia. org/wiki/Lonsdaleite[12] Pan Z, Sun H, Zhang Y, Chen C. Physical Review Letters, 2009, 102(5): art. no. 055503[13] Karfunkel H R, Dressler T. J. Am. Chem. Soc., 1992, 114: 2285-2288[14] Balaban A T, Klein D J, Folden C A. Chem. Phys. Lett., 1994, 217: 266-270[15] Rode A V, Gamaly E G, Luther-Davies B. Appl. Phys. A, 2000, 70: 135-144[16] Park N, Ihm J. Phys. Rev. B, 2000, 62: 7614-7618[17] Umemoto K, Saito S, Berber S, Tomanek D. Phys. Rev. B, 2000, 64: art. no. 193409[18] Ribeiro F J, Tangney P, Louie S G, Cohen M L. Phys. Rev. B, 2005, 72: art. no. 214109[19] Kuc A, Seifert G. Phys. Rev. B, 2006, 74: art. no. 214104[20] Klett J W, McMillan A D, Gallego N C, Walls C A. J. Mater. Sci.,2004, 39: 3659-3676[21] Klett J, Hardy R, Romine E, Walls C, Burchell T. Carbon, 2000, 38: 953-973[22] Park N, Hong S, Kim G, Jhi S H. J. Am. Chem. Soc., 2007, 129: 8999-9003[23] Wu M, Wu X, Pei Y, Wang Y, Zeng X C. Chem. Commun., 2011, 47: 4406-4408[24] Wu X, Zeng X C. Nano Lett., 2009, 9(1): 250-256[25] Kuc A, Zhechkov L, Patchkovskii S, Seifert G, Heine T. Nano Lett., 2007, 7(1): 1-5[26] Dimitrakakis G K, Tylianakis E, Froudakis G E. Nano Lett., 2008, 8(10): 3166-3170[27] Wei D, Liu Y. Adv. Mater., 2008, 20: 2815-2841[28] Ismach A, Kantorovich D, Joselevich E. J. Am. Chem. Soc., 2005, 127: 11554-11555[29] Terrones M, Terrones H, Banhart F, Charlier J C, Ajayan P M. Science, 2000, 288: 1226-1229[30] Terrones M, Banhart F, Grobert N, Charlier J C, Terrones H, Ajayan P M. Phys. Rev. Lett., 2002, 89: art. no. 075505[31] Krasheninnikov A V, Nordlund K, Keinonen J, Bahhart F. Nucl. Instrum. Meth. Phys. Res. B, 2003, 202: 224-229[32] Jin C H, Suenaga K, Iijima S. Nat. Nano., 2008, 3: 17-21[33] Romo-Herrera J M, Terrones M, Terrones H, Dag S, Meunier V. Nano Lett. 2007, 7: 570-576[34] Romo-Herrera J M, Terrones M, Terrones H, Meunier V. ACS Nano, 2008, 2: 2585-2591[35] Romo-Herrera J M, Terrones M, Terrones H, Meunier V. Nanotechnology, 2008, 19: art. no. 315704[36] Zhou R, Liu R, Li L, Wu X, Zeng X C. J. Phys. Chem. C, 2011, 115: 18174-18185[37] Ivanovskaya V V, Ivanovskii A L. J. Superhard Mat., 2010, 32: 67-87[38] Baughman R H, Galvao D S. Nature, 1993, 365: 735-737[39] Liu A Y, Cohen M L, Hass K C, Tamor M A. Phys. Rev. B, 1991, 43: 6742-6745[40] Liu A Y, Cohen M L. Phys. Rev. B, 1992, 45: 4579-4581[41] Cté M, Grossman J C, Cohen M L, Louie S G. Phys. Rev. B, 1998, 58: 664-668[42] Sunada T. Not. Am. Math. Soc.,2008, 55: 208-215[43] Itoh M, Kotani M,Naito H, Sunada T, Kawazoe Y, Adschiri T. Phys. Rev. Lett., 2009,102: art. no. 055703[44] Yao Y, Tse J S, Sun J, Klug D D, Martonak R, Iitaka T. Phys. Rev. Lett. 2009,102: art. no. 229601[45] Rignanese G M, Charlier J C. Phys. Rev. B 2008, 78: art. no. 125415[46] Hoffmann R T, Hughbanks T, Kertesz M, Bird P H. J. Am. Chem. Soc.,1983, 105: 4831-4832[47] Zhu Q, Oganov A, Salvadó M, Pertierra P, Lyakhov A. Phys. Rev. B, 2011, 83 (19): art. no. 193410[48] Utsumi W, Yagi T, Science, 1991,252: 1542-1544[49] Hanfland M, Syassen K, Sonnenschein R. Phys. Rev. B, 1989, 40: 1951-1954[50] Yagi T, Utsumi W, Yamakata M A, Kikegawa T, Shimomura O. Phys. Rev. B, 1992, 46: 6031-6039[51] Takano K J, Harashima H, Wakatsuki M. Jpn. J. Appl. Phys., 1991, 30: L860-L863[52] Zhao Y X, Spain I L. Phys. Rev. B, 1989, 40: 993-997[53] Li Q, Ma Y, Oganov A R, Wang H, Wang H, Xu Y, Cui T, Mao H, Zou G. Phys. Rev. Lett.,2009,102: art. no. 175506[54] Umemoto K, Wentzcovitch R M, Saito S, Miyake T. Phys. Rev. Lett., 2010, art. no. 104: 125504[55] Zhou X, Qian G, Dong X, Zhang L, Tian Y, Wang H. Phys. Rev. B, 2010, 82: art. no. 134126[56] Wang J, Chen C, Kawazoe Y. Phys. Rev. Lett. 2011: 106: art. no. 075501[57] Amsler M, Flores-Livas J A, Lehtovaara L, Balima F, Ghasemi S A, Machon D, Pailhs S, Willand A, Caliste D, Botti S, Miguel A S, Goedecker S, Marques M A L. Phys. Rev. Lett., 2012, 108: art. no. 065501[58] Correa A, Bonev S, Galli G. Proc. Natl. Acad. Sci. USA, 2006, 103 (5): 1204-1208[59] Sheng X, Yan Q, Ye F, Zheng Q, Su G. Phys. Rev. Lett., 2011, 106: art. no. 155703[60] Winkler B, Pickard C J, Milman V, Thimm G. Chem. Phys. Lett., 2001, 37: 36-42 |
[1] | 张永, 张辉, 张逸, 高蕾, 卢建臣, 蔡金明. 表面合成异质原子掺杂的石墨烯纳米带[J]. 化学进展, 2023, 35(1): 105-118. |
[2] | 乔瑶雨, 张学辉, 赵晓竹, 李超, 何乃普. 石墨烯/金属-有机框架复合材料制备及其应用[J]. 化学进展, 2022, 34(5): 1181-1190. |
[3] | 姜鸿基, 王美丽, 卢志炜, 叶尚辉, 董晓臣. 石墨烯基人工智能柔性传感器[J]. 化学进展, 2022, 34(5): 1166-1180. |
[4] | 马晓清. 石墨炔在光催化及光电催化中的应用[J]. 化学进展, 2022, 34(5): 1042-1060. |
[5] | 张辉, 熊玮, 卢建臣, 蔡金明. 超高真空下纳米石墨烯磁性及调控[J]. 化学进展, 2022, 34(3): 557-567. |
[6] | 向笑笑, 田晓雯, 刘会娥, 陈爽, 朱亚男, 薄玉琴. 石墨烯基气凝胶小球的可控制备[J]. 化学进展, 2021, 33(7): 1092-1099. |
[7] | 吴磊, 刘利会, 陈淑芬. 基于碳基透明电极的柔性有机电致发光二极管[J]. 化学进展, 2021, 33(5): 802-817. |
[8] | 朱彬彬, 郑晓慧, 杨光, 曾旭, 邱伟, 徐斌. 氧化石墨烯分离膜机械性能调控[J]. 化学进展, 2021, 33(4): 670-677. |
[9] | 吕苏叶, 邹亮, 管寿梁, 李红变. 石墨烯在神经电信号检测中的应用[J]. 化学进展, 2021, 33(4): 568-580. |
[10] | 罗贤升, 邓汉林, 赵江颖, 李志华, 柴春鹏, 黄木华. 多孔氮化石墨烯(C2N)的合成及应用[J]. 化学进展, 2021, 33(3): 355-367. |
[11] | 祁建磊, 徐琴琴, 孙剑飞, 周丹, 银建中. 石墨烯基单原子催化剂的合成、表征及分析[J]. 化学进展, 2020, 32(5): 505-518. |
[12] | 龚乐, 杨蓉, 刘瑞, 陈利萍, 燕映霖, 冯祖飞. 石墨烯量子点在储能器件中的应用[J]. 化学进展, 2019, 31(7): 1020-1030. |
[13] | 刘杰, 曾渊, 张俊, 张海军, 刘江昊. 三维石墨烯基材料的制备、结构与性能[J]. 化学进展, 2019, 31(5): 667-680. |
[14] | 耿奥博, 钟强, 梅长彤, 王林洁, 徐立杰, 甘露. 湿法改性石墨烯在制备橡胶复合材料中的应用[J]. 化学进展, 2019, 31(5): 738-751. |
[15] | 王晓娟, 刘真真, 陈奇, 王小强, 黄方. 石墨烯材料与蛋白质的相互作用[J]. 化学进展, 2019, 31(2/3): 236-244. |
阅读次数 | ||||||
全文 |
|
|||||
摘要 |
|
|||||