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Volumn 119, Issue 36, 2015, Pages 20923-20930

Heavy-Metal Adsorption Behavior of Two-Dimensional Alkalization-Intercalated MXene by First-Principles Calculations

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION; ATOMS; CALCULATIONS; DENSITY FUNCTIONAL THEORY; METAL IONS; METALS;

EID: 84941211479     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/acs.jpcc.5b05426     Document Type: Article
Times cited : (224)

References (50)
  • 1
    • 77952935617 scopus 로고    scopus 로고
    • A Simple, Stable and Picomole Level Lead Sensor Fabricated on DNA-based Carbon Hybridized TiO2 Nanotube Arrays
    • Liu, M. C.; Zhao, G. H.; Tang, Y. T.; Yu, Z. M.; Lei, Y. Z.; Li, M. F.; Zhang, Y. A.; Li, D. M. A Simple, Stable and Picomole Level Lead Sensor Fabricated on DNA-based Carbon Hybridized TiO2 Nanotube Arrays Environ. Sci. Technol. 2010, 44, 4241-4246 10.1021/es1003507
    • (2010) Environ. Sci. Technol. , vol.44 , pp. 4241-4246
    • Liu, M.C.1    Zhao, G.H.2    Tang, Y.T.3    Yu, Z.M.4    Lei, Y.Z.5    Li, M.F.6    Zhang, Y.A.7    Li, D.M.8
  • 2
    • 84876265238 scopus 로고    scopus 로고
    • Electrochemical and Density Functional Theory Investigation on High Selectivity and Sensitivity of Exfoliated Nano-Zirconium Phosphate toward Lead(II)
    • Wang, L.; Xu, W. H.; Yang, R.; Zhou, T.; Hou, D.; Zheng, X.; Liu, J. H.; Huang, X. J. Electrochemical and Density Functional Theory Investigation on High Selectivity and Sensitivity of Exfoliated Nano-Zirconium Phosphate toward Lead(II) Anal. Chem. 2013, 85, 3984-3990 10.1021/ac3037014
    • (2013) Anal. Chem. , vol.85 , pp. 3984-3990
    • Wang, L.1    Xu, W.H.2    Yang, R.3    Zhou, T.4    Hou, D.5    Zheng, X.6    Liu, J.H.7    Huang, X.J.8
  • 3
    • 70649105586 scopus 로고    scopus 로고
    • Colorimetric Assay for Lead Ions Based on the Leaching of Gold Nanoparticles
    • Chen, Y. Y.; Chang, H. T.; Shiang, Y. C.; Hung, Y. L.; Chiang, C. K.; Huang, C. C. Colorimetric Assay for Lead Ions Based on the Leaching of Gold Nanoparticles Anal. Chem. 2009, 81, 9433-9439 10.1021/ac9018268
    • (2009) Anal. Chem. , vol.81 , pp. 9433-9439
    • Chen, Y.Y.1    Chang, H.T.2    Shiang, Y.C.3    Hung, Y.L.4    Chiang, C.K.5    Huang, C.C.6
  • 4
    • 34548588511 scopus 로고    scopus 로고
    • In Situ Synthesis of Metal Nanoparticles and Selective Naked-Eye Detection of Lead Ions from Aqueous Media
    • Yoosaf, K.; Ipe, B. I.; Suresh, C. H.; Thomas, K. G. In Situ Synthesis of Metal Nanoparticles and Selective Naked-Eye Detection of Lead Ions from Aqueous Media J. Phys. Chem. C 2007, 111, 12839-12847 10.1021/jp073923q
    • (2007) J. Phys. Chem. C , vol.111 , pp. 12839-12847
    • Yoosaf, K.1    Ipe, B.I.2    Suresh, C.H.3    Thomas, K.G.4
  • 5
    • 84875694405 scopus 로고    scopus 로고
    • Polyamidoamine Dendronized Hollow Fiber Membranes in the Recovery of Heavy Metal Ions
    • Zhang, Q.; Wang, N.; Zhao, L.; Xu, T.; Cheng, Y. Polyamidoamine Dendronized Hollow Fiber Membranes in the Recovery of Heavy Metal Ions ACS Appl. Mater. Interfaces 2013, 5, 1907-1912 10.1021/am400155b
    • (2013) ACS Appl. Mater. Interfaces , vol.5 , pp. 1907-1912
    • Zhang, Q.1    Wang, N.2    Zhao, L.3    Xu, T.4    Cheng, Y.5
  • 6
    • 79951850017 scopus 로고    scopus 로고
    • Polyrhodanine Modified Anodic Aluminum Oxide Membrane for Heavy Metal Ions Removal
    • Song, J.; Oh, H.; Kong, H.; Jang, J. Polyrhodanine Modified Anodic Aluminum Oxide Membrane for Heavy Metal Ions Removal J. Hazard. Mater. 2011, 187, 311-317 10.1016/j.jhazmat.2011.01.026
    • (2011) J. Hazard. Mater. , vol.187 , pp. 311-317
    • Song, J.1    Oh, H.2    Kong, H.3    Jang, J.4
  • 7
    • 39049122212 scopus 로고    scopus 로고
    • Chemical coagulation of combined sewer overflow: Heavy metal removal and treatment optimization
    • Samrani, A. G.; El Lartiges, B. S.; Villieras, F. Chemical coagulation of combined sewer overflow: Heavy metal removal and treatment optimization Water Res. 2008, 42, 951-960 10.1016/j.watres.2007.09.009
    • (2008) Water Res. , vol.42 , pp. 951-960
    • Samrani, A.G.1    El Lartiges, B.S.2    Villieras, F.3
  • 8
    • 79955601057 scopus 로고    scopus 로고
    • Urchin-Like Ni-P Microstructures: Facile Synthesis, Properties and Application in the Fast Removal of Heavy-Metal Ions
    • Ni, Y. H.; Mi, K.; Cheng, C.; Xia, J.; Ma, X.; Hong, J. M. Urchin-Like Ni-P Microstructures: Facile Synthesis, Properties and Application in the Fast Removal of Heavy-Metal Ions Chem. Commun. 2011, 47, 5891-5893 10.1039/c1cc11640a
    • (2011) Chem. Commun. , vol.47 , pp. 5891-5893
    • Ni, Y.H.1    Mi, K.2    Cheng, C.3    Xia, J.4    Ma, X.5    Hong, J.M.6
  • 9
    • 84865270100 scopus 로고    scopus 로고
    • Superb Adsorption Capacity and Mechanism of Flowerlike Magnesium Oxide Nanostructures for Lead and Cadmium Ions
    • Cao, C. Y.; Qu, J.; Wei, F.; Liu, H.; Song, W. G. Superb Adsorption Capacity and Mechanism of Flowerlike Magnesium Oxide Nanostructures for Lead and Cadmium Ions ACS Appl. Mater. Interfaces 2012, 4, 4283-4287 10.1021/am300972z
    • (2012) ACS Appl. Mater. Interfaces , vol.4 , pp. 4283-4287
    • Cao, C.Y.1    Qu, J.2    Wei, F.3    Liu, H.4    Song, W.G.5
  • 10
    • 84879223427 scopus 로고    scopus 로고
    • Sorption Enhancement of Lead Ions from Water by Surface Charged Polystyrene-Supported Nano-Zirconium Oxide Composites
    • Zhang, Q.; Du, Q.; Hua, M.; Jiao, T.; Gao, F.; Pan, B. Sorption Enhancement of Lead Ions from Water by Surface Charged Polystyrene-Supported Nano-Zirconium Oxide Composites. Environ. Sci. Technol. 2013, 47, 6536-6544 10.1021/es400919t
    • (2013) Environ. Sci. Technol. , vol.47 , pp. 6536-6544
    • Zhang, Q.1    Du, Q.2    Hua, M.3    Jiao, T.4    Gao, F.5    Pan, B.6
  • 12
    • 84864447148 scopus 로고    scopus 로고
    • Preparation of Graphene Oxide Aerogel and its Adsorption for Cu2+Ions
    • Mi, X.; Huang, G.; Xie, W.; Wang, W.; Liu, Y.; Gao, J. Preparation of Graphene Oxide Aerogel and its Adsorption for Cu2+Ions Carbon 2012, 50, 4856-4864 10.1016/j.carbon.2012.06.013
    • (2012) Carbon , vol.50 , pp. 4856-4864
    • Mi, X.1    Huang, G.2    Xie, W.3    Wang, W.4    Liu, Y.5    Gao, J.6
  • 13
    • 77955520123 scopus 로고    scopus 로고
    • Water-Dispersible Magnetite-Reduced Graphene Oxide Composites for Arsenic Removal
    • Chandra, V.; Park, J.; Chun, Y.; Lee, J. W.; Hwang, I. C.; Kim, K. S. Water-Dispersible Magnetite-Reduced Graphene Oxide Composites for Arsenic Removal ACS Nano 2010, 4, 3979-3986 10.1021/nn1008897
    • (2010) ACS Nano , vol.4 , pp. 3979-3986
    • Chandra, V.1    Park, J.2    Chun, Y.3    Lee, J.W.4    Hwang, I.C.5    Kim, K.S.6
  • 14
    • 84875215429 scopus 로고    scopus 로고
    • Reduced Graphene Oxide-Based Hydrogels for the Efficient Capture of Dye Pollutants from Aqueous Solutions
    • Tiwari, J. N.; Mahesh, K.; Le, N. H.; Kemp, K. C.; Timilsina, R.; Tiwari, R. N.; Kim, K. S. Reduced Graphene Oxide-Based Hydrogels for the Efficient Capture of Dye Pollutants from Aqueous Solutions Carbon 2013, 56, 173-182 10.1016/j.carbon.2013.01.001
    • (2013) Carbon , vol.56 , pp. 173-182
    • Tiwari, J.N.1    Mahesh, K.2    Le, N.H.3    Kemp, K.C.4    Timilsina, R.5    Tiwari, R.N.6    Kim, K.S.7
  • 15
    • 84873345152 scopus 로고    scopus 로고
    • Functionalization of Graphite Oxide with Magnetic Chitosan for the Preparation of a Nanocomposite Dye Adsorbent
    • Travlou, N. A.; Kyzas, G. Z.; Lazaridis, N. K.; Deliyanni, E. A. Functionalization of Graphite Oxide with Magnetic Chitosan for the Preparation of a Nanocomposite Dye Adsorbent Langmuir 2013, 29, 1657-1668 10.1021/la304696y
    • (2013) Langmuir , vol.29 , pp. 1657-1668
    • Travlou, N.A.1    Kyzas, G.Z.2    Lazaridis, N.K.3    Deliyanni, E.A.4
  • 17
    • 84894262105 scopus 로고    scopus 로고
    • 25th Anniversary Article: MXenes: A New Family of Two-Dimensional Materials
    • Naguib, M.; Mochalin, V. N.; Barsoum, M. W.; Gogotsi, Y. 25th Anniversary Article: MXenes: A New Family of Two-Dimensional Materials Adv. Mater. 2014, 26, 992-1005 10.1002/adma.201304138
    • (2014) Adv. Mater. , vol.26 , pp. 992-1005
    • Naguib, M.1    Mochalin, V.N.2    Barsoum, M.W.3    Gogotsi, Y.4
  • 20
    • 84879427593 scopus 로고    scopus 로고
    • Graphene-Analogous Low-Dimensional Materials
    • Tang, Q.; Zhou, Z. Graphene-Analogous Low-Dimensional Materials Prog. Mater. Sci. 2013, 58, 1244-1315 10.1016/j.pmatsci.2013.04.003
    • (2013) Prog. Mater. Sci. , vol.58 , pp. 1244-1315
    • Tang, Q.1    Zhou, Z.2
  • 21
    • 84931260211 scopus 로고    scopus 로고
    • Recent Advances in MXene: Preparation, Properties and Applications
    • Lei, J.; Zhang, X.; Zhou, Z. Recent Advances in MXene: Preparation, Properties and Applications Front. Phys. 2015, 10, 276-286 10.1007/s11467-015-0493-x
    • (2015) Front. Phys. , vol.10 , pp. 276-286
    • Lei, J.1    Zhang, X.2    Zhou, Z.3
  • 22
    • 84923239505 scopus 로고    scopus 로고
    • Computational Studies on Structural and Electronic Properties of Functionalized MXene Monolayers and Nanotubes
    • Zhang, X.; Ma, Z.; Zhao, X.; Tang, Q.; Zhou, Z. Computational Studies on Structural and Electronic Properties of Functionalized MXene Monolayers and Nanotubes J. Mater. Chem. A 2015, 3, 4960-4966 10.1039/C4TA06557C
    • (2015) J. Mater. Chem. A , vol.3 , pp. 4960-4966
    • Zhang, X.1    Ma, Z.2    Zhao, X.3    Tang, Q.4    Zhou, Z.5
  • 23
    • 84896386796 scopus 로고    scopus 로고
    • Tunable Band Structures of Heterostructured Bilayers with Transition-Metal Dichalcogenide and MXene Monolayer
    • Ma, Z.; Hu, Z.; Zhao, X.; Tang, Q.; Wu, D.; Zhou, Z.; Zhang, L. Tunable Band Structures of Heterostructured Bilayers with Transition-Metal Dichalcogenide and MXene Monolayer J. Phys. Chem. C 2014, 118, 5593-5599 10.1021/jp500861n
    • (2014) J. Phys. Chem. C , vol.118 , pp. 5593-5599
    • Ma, Z.1    Hu, Z.2    Zhao, X.3    Tang, Q.4    Wu, D.5    Zhou, Z.6    Zhang, L.7
  • 25
    • 84867340219 scopus 로고    scopus 로고
    • 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
    • Tang, Q.; Zhou, Z.; Shen, P. 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 J. Am. Chem. Soc. 2012, 134, 16909-16916 10.1021/ja308463r
    • (2012) J. Am. Chem. Soc. , vol.134 , pp. 16909-16916
    • Tang, Q.1    Zhou, Z.2    Shen, P.3
  • 27
    • 84891380316 scopus 로고    scopus 로고
    • MXene: A New Family of Promising Hydrogen Storage Medium
    • Hu, Q.; Sun, D.; Wu, Q.; Wang, H.; Wang, L.; Liu, B.; Zhou, A.; He, J. MXene: A New Family of Promising Hydrogen Storage Medium J. Phys. Chem. A 2013, 117, 14253-14260 10.1021/jp409585v
    • (2013) J. Phys. Chem. A , vol.117 , pp. 14253-14260
    • Hu, Q.1    Sun, D.2    Wu, Q.3    Wang, H.4    Wang, L.5    Liu, B.6    Zhou, A.7    He, J.8
  • 28
    • 84912016571 scopus 로고    scopus 로고
    • Achieving a Direct Band Gap in Oxygen Functionalized-Monolayer Scandium Carbide by Applying an Electric Field
    • Lee, Y.; Hwang, Y.; Cho, S. B.; Chung, Y. C. Achieving a Direct Band Gap in Oxygen Functionalized-Monolayer Scandium Carbide by Applying an Electric Field Phys. Chem. Chem. Phys. 2014, 16, 26273-26278 10.1039/C4CP03811H
    • (2014) Phys. Chem. Chem. Phys. , vol.16 , pp. 26273-26278
    • Lee, Y.1    Hwang, Y.2    Cho, S.B.3    Chung, Y.C.4
  • 29
    • 84898767649 scopus 로고    scopus 로고
    • Two-Dimensional Molybdenum Carbides: Potential Thermoelectric Materials of the MXene Family
    • Khazaei, M.; Arai, M.; Sasaki, T.; Estili, M.; Sakka, Y. Two-Dimensional Molybdenum Carbides: Potential Thermoelectric Materials of the MXene Family Phys. Chem. Chem. Phys. 2014, 16, 7841-7849 10.1039/c4cp00467a
    • (2014) Phys. Chem. Chem. Phys. , vol.16 , pp. 7841-7849
    • Khazaei, M.1    Arai, M.2    Sasaki, T.3    Estili, M.4    Sakka, Y.5
  • 30
    • 84896507285 scopus 로고    scopus 로고
    • Unique Lead Adsorption Behavior of Activated Hydroxyl Group in Two-Dimensional Titanium Carbide
    • Peng, Q. M.; Guo, J. X.; Zhang, Q. R.; Xiang, J. Y.; Liu, B. Z.; Zhou, A. G.; Liu, R. P.; Tian, Y. J. Unique Lead Adsorption Behavior of Activated Hydroxyl Group in Two-Dimensional Titanium Carbide J. Am. Chem. Soc. 2014, 136, 4113-4116 10.1021/ja500506k
    • (2014) J. Am. Chem. Soc. , vol.136 , pp. 4113-4116
    • Peng, Q.M.1    Guo, J.X.2    Zhang, Q.R.3    Xiang, J.Y.4    Liu, B.Z.5    Zhou, A.G.6    Liu, R.P.7    Tian, Y.J.8
  • 31
    • 2442537377 scopus 로고    scopus 로고
    • Efficient Iterative Schemes for Ab Initio Total-Energy Calculations Using a Plane-Wave Basis Set
    • Kresse, G.; Furthmullerr, J. Efficient Iterative Schemes for Ab Initio Total-Energy Calculations Using a Plane-Wave Basis Set Phys. Rev. B: Condens. Matter Mater. Phys. 1996, 54, 11169-11186 10.1103/PhysRevB.54.11169
    • (1996) Phys. Rev. B: Condens. Matter Mater. Phys. , vol.54 , pp. 11169-11186
    • Kresse, G.1    Furthmullerr, J.2
  • 32
    • 4243943295 scopus 로고    scopus 로고
    • Generalized Gradient Approximation Made Simple
    • Perdew, J. P.; Burke, K.; Ernzerhof, M. Generalized Gradient Approximation Made Simple Phys. Rev. Lett. 1996, 77, 3865-3868 10.1103/PhysRevLett.77.3865
    • (1996) Phys. Rev. Lett. , vol.77 , pp. 3865-3868
    • Perdew, J.P.1    Burke, K.2    Ernzerhof, M.3
  • 34
    • 1842816907 scopus 로고
    • Special Points for Brillouin-Zone Integrations
    • Monkhorst, H. J.; Pack, J. D. Special Points for Brillouin-Zone Integrations Phys. Rev. B 1976, 13, 5188-5192 10.1103/PhysRevB.13.5188
    • (1976) Phys. Rev. B , vol.13 , pp. 5188-5192
    • Monkhorst, H.J.1    Pack, J.D.2
  • 35
    • 0000720337 scopus 로고
    • High-Precision Sampling for Brillouin-Zone Integration in Metals
    • Methfessel, M.; Paxton, A. T. High-Precision Sampling for Brillouin-Zone Integration in Metals Phys. Rev. B: Condens. Matter Mater. Phys. 1989, 40, 3616-3621 10.1103/PhysRevB.40.3616
    • (1989) Phys. Rev. B: Condens. Matter Mater. Phys. , vol.40 , pp. 3616-3621
    • Methfessel, M.1    Paxton, A.T.2
  • 36
    • 77951680464 scopus 로고    scopus 로고
    • A Consistent and Accurate ab initio Parametrization of Density Functional Dispersion Correction (DFT-d) for the 94 Elements H-Pu
    • Grimme, S.; Antony, J.; Ehrlich, S.; Krieg, S. A Consistent and Accurate ab initio Parametrization of Density Functional Dispersion Correction (DFT-d) for the 94 Elements H-Pu J. Chem. Phys. 2010, 132, 154104 10.1063/1.3382344
    • (2010) J. Chem. Phys. , vol.132 , pp. 154104
    • Grimme, S.1    Antony, J.2    Ehrlich, S.3    Krieg, S.4
  • 37
    • 79952943559 scopus 로고    scopus 로고
    • Effect of the Damping Function in Dispersion Corrected Density Functional Theory
    • Grimme, S.; Ehrlich, S.; Goerigk, L. Effect of the Damping Function in Dispersion Corrected Density Functional Theory J. Comput. Chem. 2011, 32, 1456-1465 10.1002/jcc.21759
    • (2011) J. Comput. Chem. , vol.32 , pp. 1456-1465
    • Grimme, S.1    Ehrlich, S.2    Goerigk, L.3
  • 38
    • 36549100412 scopus 로고
    • A Simple Measure of Electron Localization in Atomic and Molecular Systems
    • Becke, A. D.; Edgecombe, K. E. A Simple Measure of Electron Localization in Atomic and Molecular Systems J. Chem. Phys. 1990, 92, 5397-5403 10.1063/1.458517
    • (1990) J. Chem. Phys. , vol.92 , pp. 5397-5403
    • Becke, A.D.1    Edgecombe, K.E.2
  • 39
    • 0000809240 scopus 로고
    • Interpretation of the Fermi Hole Curvature
    • Dobson, J. F. Interpretation of the Fermi Hole Curvature J. Chem. Phys. 1991, 94, 4328-4333 10.1063/1.460619
    • (1991) J. Chem. Phys. , vol.94 , pp. 4328-4333
    • Dobson, J.F.1
  • 41
    • 0038680328 scopus 로고    scopus 로고
    • The Spin-Pair Compositions as Local Indicators of the Nature of the Bonding
    • Silvi, B. The Spin-Pair Compositions as Local Indicators of the Nature of the Bonding J. Phys. Chem. A 2003, 107, 3081-3085 10.1021/jp027284p
    • (2003) J. Phys. Chem. A , vol.107 , pp. 3081-3085
    • Silvi, B.1
  • 42
    • 79751534013 scopus 로고    scopus 로고
    • Layered Machinable and Electrically Conductive Ti2AlC and Ti3AlC2 Ceramics: A Review
    • Wang, X. H.; Zhou, Y. C. Layered Machinable and Electrically Conductive Ti2AlC and Ti3AlC2 Ceramics: a Review J. Mater. Sci. Technol. 2010, 26, 385-416 10.1016/S1005-0302(10)60064-3
    • (2010) J. Mater. Sci. Technol. , vol.26 , pp. 385-416
    • Wang, X.H.1    Zhou, Y.C.2
  • 43
    • 0033886230 scopus 로고    scopus 로고
    • Synthesis and Characterization of Ti3AlC2
    • Tzenov, N. V.; Barsoum, M. W. Synthesis and Characterization of Ti3AlC2 J. Am. Ceram. Soc. 2000, 83, 825-832 10.1111/j.1151-2916.2000.tb01281.x
    • (2000) J. Am. Ceram. Soc. , vol.83 , pp. 825-832
    • Tzenov, N.V.1    Barsoum, M.W.2
  • 44
    • 84864518678 scopus 로고    scopus 로고
    • Graphene-like Titanium Carbides and Nitrides Tin+1Cn, Tin+1Nn (n = 1, 2, and 3) from De-Intercalated MAX Phases: First-Principles Probing of Their Structural, Electronic Properties and Relative Stability
    • Shein, I. R.; Ivanovskii, A. L. Graphene-like Titanium Carbides and Nitrides Tin+1Cn, Tin+1Nn (n = 1, 2, and 3) from De-Intercalated MAX Phases: First-Principles Probing of Their Structural, Electronic Properties and Relative Stability Comput. Mater. Sci. 2012, 65, 104-114 10.1016/j.commatsci.2012.07.011
    • (2012) Comput. Mater. Sci. , vol.65 , pp. 104-114
    • Shein, I.R.1    Ivanovskii, A.L.2
  • 45
    • 77955472191 scopus 로고    scopus 로고
    • General Trends in the Structural, Electronic and Elastic Properties of the M3AlC2 Phases (M = transition metal): A First-Principle Study
    • He, X.; Bai, Y.; Zhu, C.; Sun, Y.; Li, M.; Barsoum, M. W. General Trends in the Structural, Electronic and Elastic Properties of the M3AlC2 Phases (M = transition metal): A First-Principle Study Comput. Mater. Sci. 2010, 49, 691-698 10.1016/j.commatsci.2010.06.012
    • (2010) Comput. Mater. Sci. , vol.49 , pp. 691-698
    • He, X.1    Bai, Y.2    Zhu, C.3    Sun, Y.4    Li, M.5    Barsoum, M.W.6
  • 46
    • 33745753520 scopus 로고    scopus 로고
    • A Fast and Robust Algorithm for Bader Decomposition of Charge Density
    • Henkelman, G.; Arnaldsson, A.; Jonsson, H. A Fast and Robust Algorithm for Bader Decomposition of Charge Density Comput. Mater. Sci. 2006, 36, 354-360 10.1016/j.commatsci.2005.04.010
    • (2006) Comput. Mater. Sci. , vol.36 , pp. 354-360
    • Henkelman, G.1    Arnaldsson, A.2    Jonsson, H.3
  • 47
    • 2442467894 scopus 로고    scopus 로고
    • An Electron Localization Function Study of the Geometry of d0 Molecules of the Period 4 Metals Ca to Mn
    • Gillespie, R. J.; Noury, S.; Pilmé, J.; Silvi, B. An Electron Localization Function Study of the Geometry of d0 Molecules of the Period 4 Metals Ca to Mn Inorg. Chem. 2004, 43, 3248-3256 10.1021/ic0354015
    • (2004) Inorg. Chem. , vol.43 , pp. 3248-3256
    • Gillespie, R.J.1    Noury, S.2    Pilmé, J.3    Silvi, B.4
  • 49
    • 84884308097 scopus 로고    scopus 로고
    • First-Principles Study of Graphene-Lithium Structures for Battery Applications
    • Buldum, A.; Tetiker, G. First-Principles Study of Graphene-Lithium Structures for Battery Applications J. Appl. Phys. 2013, 113, 154312 10.1063/1.4802448
    • (2013) J. Appl. Phys. , vol.113 , pp. 154312
    • Buldum, A.1    Tetiker, G.2
  • 50
    • 84921422716 scopus 로고    scopus 로고
    • Prediction and Characterization of MXene Nanosheet Anodes for Non-Lithium-Ion Batteries
    • Xie, Y.; DallAgnese, Y.; Naguib, M.; Gogotsi, Y.; Barsoum, M. W.; Zhuang, H. L.; Kent, P. R. C. Prediction and Characterization of MXene Nanosheet Anodes for Non-Lithium-Ion Batteries ACS Nano 2014, 8, 9606-9615 10.1021/nn503921j
    • (2014) ACS Nano , vol.8 , pp. 9606-9615
    • Xie, Y.1    DallAgnese, Y.2    Naguib, M.3    Gogotsi, Y.4    Barsoum, M.W.5    Zhuang, H.L.6    Kent, P.R.C.7


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