Are MXenes Promising Anode Materials for Li Ion Batteries? Computational Studies on Electronic Properties and Li Storage Capability of Ti3C2 and Ti3C2X2 (X = F, OH) Monolayer

Journal of the American Chemical Society - Tập 134 Số 40 - Trang 16909-16916 - 2012
Qing Tang1, Zhen Zhou1, Pan‐Wen Shen1
1Tianjin Key Laboratory of Metal and Molecule Based Material Chemistry, Key Laboratory of Advanced Energy Materials Chemistry (Ministry of Education), Computational Centre for Molecular Science, Institute of New Energy Material Chemistry, Nankai University, Tianjin 300071, P. R. China

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Novoselov K. S., 2004, Science, 306, 666, 10.1126/science.1102896

Geim A. K., 2007, Nat. Mater., 6, 183, 10.1038/nmat1849

Pacilé D., 2008, Appl. Phys. Lett., 92, 133107, 10.1063/1.2903702

Han W.-Q., 2008, Appl. Phys. Lett., 93, 223103, 10.1063/1.3041639

Jin C., 2009, Phys. Rev. Lett., 102, 195505, 10.1103/PhysRevLett.102.195505

Lin Y., 2010, J. Phys. Chem. Lett., 1, 277, 10.1021/jz9002108

Zeng H. B., 2010, Nano Lett., 10, 5049, 10.1021/nl103251m

Zhou K, -G., 2011, Angew. Chem., Int. Ed., 50, 10839, 10.1002/anie.201105364

Zeng Z., 2011, Angew. Chem., Int. Ed., 50, 11093, 10.1002/anie.201106004

Novoselov K. S., 2005, Proc. Natl. Acad. Sci. U. S. A., 102, 10451, 10.1073/pnas.0502848102

Amo-Ochoa P., 2010, Chem. Commun., 46, 3262, 10.1039/b919647a

Abel M., 2011, J. Am. Chem. Soc., 133, 1203, 10.1021/ja108628r

Mas-Ballesté R., 2011, Nanoscale, 3, 20, 10.1039/C0NR00323A

Coleman J. N., 2011, Science, 331, 568, 10.1126/science.1194975

Tang Q., 2011, J. Phys. Chem. C, 115, 18531, 10.1021/jp2067205

Chen W., 2010, J. Am. Chem. Soc., 132, 1699, 10.1021/ja908475v

Tang Q., 2011, J. Phys. Chem. C, 115, 1724, 10.1021/jp109829c

Li Y. F., 2008, J. Am. Chem. Soc., 130, 16739, 10.1021/ja805545x

Li Y. F., 2012, J. Phys. Chem. Lett., 3, 2221, 10.1021/jz300792n

Tang Q., 2011, J. Phys. Chem. C, 115, 11983, 10.1021/jp204174p

Tang Q., 2010, ACS Appl. Mater. Interfaces, 2, 2442, 10.1021/am100467j

Li Y. F., 2011, J. Am. Chem. Soc., 133, 900, 10.1021/ja107711m

Tang Q., 2012, J. Phys. Chem. C, 116, 4119, 10.1021/jp211779w

Lengauer W., 2000, Handbook of Ceramic Hard Materials, 1, 202, 10.1002/9783527618217.ch7

Barsoum M. W., 2000, Prog. Solid State Chem., 28, 201, 10.1016/S0079-6786(00)00006-6

Hfgberg H., 2005, Surf. Coat. Technol., 193, 6, 10.1016/j.surfcoat.2004.08.174

Wang J., 2009, Annu. Rev. Mater. Sci., 39, 415, 10.1146/annurev-matsci-082908-145340

Keast V. J., 2009, Phys. Rev. B, 80, 214113, 10.1103/PhysRevB.80.214113

Ahuja R., 2000, Appl. Phys. Lett., 76, 2226, 10.1063/1.126304

Zhang H. B., 2006, J. Mater. Res., 21, 402, 10.1557/jmr.2006.0046

Zhang H. B., 2006, J. Mater. Res., 21, 2401, 10.1557/jmr.2006.0289

Barsoum M. W., 1996, J. Am. Ceram. Soc., 79, 1953, 10.1111/j.1151-2916.1996.tb08018.x

Barsoum M. W., 2011, Annu. Rev. Mater. Sci., 41, 195, 10.1146/annurev-matsci-062910-100448

Wang X. H., 2010, J. Mater. Sci. Technol., 26, 385, 10.1016/S1005-0302(10)60064-3

Eklund P., 2010, Thin Solid Films, 518, 1851, 10.1016/j.tsf.2009.07.184

Sun Z. M., 2011, Int. Mater. Rev., 56, 143, 10.1179/1743280410Y.0000000001

Naguib M., 2011, Adv. Mater., 23, 4248, 10.1002/adma.201102306

Naguib M., 2012, ACS Nano, 6, 1322, 10.1021/nn204153h

Naguib M., 2012, Electrochem. Commun., 16, 61, 10.1016/j.elecom.2012.01.002

Come J., 2012, J. Electrochem. Soc., 159, A1368, 10.1149/2.003208jes

Kresse G., 1996, Phys. Rev. B, 54, 11169, 10.1103/PhysRevB.54.11169

Blöchl P. E., 1994, Phys. Rev. B, 50, 17953, 10.1103/PhysRevB.50.17953

Perdew J. P., 1996, Phys. Rev. Lett., 77, 3865, 10.1103/PhysRevLett.77.3865

Grimme S., 2006, J. Comput. Chem., 27, 1787, 10.1002/jcc.20495

Henkelman G., 2000, J. Chem. Phys., 113, 9901, 10.1063/1.1329672

Enyashin A. N., 2012, Comput. Theor. Chem., 989, 27, 10.1016/j.comptc.2012.02.034

Aydinol M. K., 1997, Phys. Rev. B, 56, 1354, 10.1103/PhysRevB.56.1354

Aydinol M. K., 1997, J. Electrochem. Soc., 144, 3832, 10.1149/1.1838099

Aydinol M. K., 1997, J. Power Sources, 68, 664, 10.1016/S0378-7753(96)02638-9

Meng Y. S., 2009, Energy Environ. Sci., 2, 589, 10.1039/b901825e

Yang Z., 2009, J. Power Sources, 192, 588, 10.1016/j.jpowsour.2009.02.038

10.1002/adfm.201200698

Koudriachova M. V., 2002, Solid State Ionics, 152, 189, 10.1016/S0167-2738(02)00299-0

Macklin W. J., 1992, Solid State Ionics, 53, 694, 10.1016/0167-2738(92)90449-Y

Sun C. H., 2010, Chem. Commun., 46, 6129, 10.1039/c0cc00832j

Lunell S., 1997, J. Am. Chem. Soc., 119, 7374, 10.1021/ja9708629

Olson C. L., 2006, J. Phys. Chem. B, 110, 9995, 10.1021/jp057261l

Wagemaker M., 2001, J. Am. Chem. Soc., 123, 11454, 10.1021/ja0161148

Lindström H., 1997, J. Phys. Chem. B, 101, 7710, 10.1021/jp970489r

Koudriachova M. V., 2001, Phys. Rev. Lett., 86, 1275, 10.1103/PhysRevLett.86.1275

van der Krol R., 1999, J. Electrochem. Soc., 146, 3150, 10.1149/1.1392447

Toyoura K., 2010, J. Phys. Chem. C, 114, 2375, 10.1021/jp910134u

Persson K., 2010, J. Phys. Chem. Lett., 1, 1176, 10.1021/jz100188d

Persson K., 2010, Phys. Rev. B, 82, 125416, 10.1103/PhysRevB.82.125416