메뉴 건너뛰기




Volumn 4, Issue , 2014, Pages

The stability and electronic properties of novel three-dimensional graphene-MoS2 hybrid structure

Author keywords

[No Author keywords available]

Indexed keywords


EID: 84946019441     PISSN: None     EISSN: 20452322     Source Type: Journal    
DOI: 10.1038/srep07007     Document Type: Article
Times cited : (48)

References (52)
  • 1
    • 7444220645 scopus 로고    scopus 로고
    • Electric field effect in atomically thin carbon films
    • Novoselov, K. S. Electric Field Effect in Atomically Thin Carbon Films. Science 306, 666-669, doi:10.1126/science.1102896 (2004).
    • (2004) Science , vol.306 , pp. 666-669
    • Novoselov, K.S.1
  • 3
    • 77950418694 scopus 로고    scopus 로고
    • Multifunctional porous graphene for nanoelectronics and hydrogen storage: New properties revealed by first principle calculations
    • Du, A., Zhu, Z. & Smith, S. C. Multifunctional Porous Graphene for Nanoelectronics and Hydrogen Storage: New Properties Revealed by First Principle Calculations. J. Am. Chem. Soc. 132, 2876-2877, doi:10.1021/ja100156d (2010).
    • (2010) J. Am. Chem. Soc. , vol.132 , pp. 2876-2877
    • Du, A.1    Zhu, Z.2    Smith, S.C.3
  • 4
    • 84859309096 scopus 로고    scopus 로고
    • Energetics and dynamics of a new type of extended line defects in graphene
    • Li, Y., Zhang, R.-Q., Lin, Z. & Van Hove, M. A. Energetics and dynamics of a new type of extended line defects in graphene. Nanoscale 4, 2580-2583, doi:10.1039/C2NR30185G (2012).
    • (2012) Nanoscale , vol.4 , pp. 2580-2583
    • Li, Y.1    Zhang, R.-Q.2    Lin, Z.3    Van Hove, M.A.4
  • 5
    • 68649102372 scopus 로고    scopus 로고
    • Spin gapless semiconductor2metal2half-metal properties in nitrogen-doped zigzag graphene nanoribbons
    • Li, Y., Zhou, Z., Shen, P. & Chen, Z. Spin Gapless Semiconductor2Metal2Half-Metal Properties in Nitrogen-Doped Zigzag Graphene Nanoribbons. ACS Nano 3, 1952-1958, doi:10.1021/nn9003428 (2009).
    • (2009) ACS Nano , vol.3 , pp. 1952-1958
    • Li, Y.1    Zhou, Z.2    Shen, P.3    Chen, Z.4
  • 6
    • 84877726239 scopus 로고    scopus 로고
    • Tunable band gap in few-layer graphene by surface adsorption
    • Quhe, R. et al. Tunable band gap in few-layer graphene by surface adsorption. Sci. Rep. 3, doi:10.1038/srep01794 (2013).
    • (2013) Sci. Rep. , vol.3
    • Quhe, R.1
  • 7
    • 84870449599 scopus 로고    scopus 로고
    • Strong interactions and charge transfers between a charged benzene molecule and multilayer graphenes
    • Wangmo, S. et al. Strong interactions and charge transfers between a charged benzene molecule and multilayer graphenes. J. Mater. Chem. 22, 23380-23386, doi:10.1039/C2JM35634A (2012).
    • (2012) J. Mater. Chem. , vol.22 , pp. 23380-23386
    • Wangmo, S.1
  • 8
    • 79955501476 scopus 로고    scopus 로고
    • Hybrid graphene/titania nanocomposite: Interface charge transfer, hole doping, and sensitization for visible light response
    • Du, A. et al. Hybrid Graphene/Titania Nanocomposite: Interface Charge Transfer, Hole Doping, and Sensitization for Visible Light Response. J. Phys. Chem. Lett. 2, 894-899, doi:10.1021/jz2002698 (2011).
    • (2011) J. Phys. Chem. Lett. , vol.2 , pp. 894-899
    • Du, A.1
  • 9
    • 38949108623 scopus 로고    scopus 로고
    • Processable aqueous dispersions of graphene nanosheets
    • Li, D., Muller, M. B., Gilje, S., Kaner, R. B. &Wallace, G. G. Processable aqueous dispersions of graphene nanosheets. Nat. Nano 3, 101-105, doi:doi:10.1038/nnano.2007.451 (2008).
    • (2008) Nat. Nano , vol.3 , pp. 101-105
    • Li, D.1    Muller, M.B.2    Gilje, S.3    Kaner, R.B.4    Wallace, G.G.5
  • 10
    • 84901333966 scopus 로고    scopus 로고
    • Three-dimensional graphene materials: Preparation, structures and application in supercapacitors
    • Cao, X., Yin, Z. & Zhang, H. Three-dimensional graphene materials: preparation, structures and application in supercapacitors. Energy Environ. Sci. 7, 1850, doi:10.1039/c4ee00050a (2014).
    • (2014) Energy Environ. Sci. , vol.7 , pp. 1850
    • Cao, X.1    Yin, Z.2    Zhang, H.3
  • 11
    • 81255190612 scopus 로고    scopus 로고
    • Preparation of novel 3D graphene networks for supercapacitor applications
    • Cao, X. et al. Preparation of novel 3D graphene networks for supercapacitor applications. Small 7, 3163-3168, doi:10.1002/smll.201100990 (2011).
    • (2011) Small , vol.7 , pp. 3163-3168
    • Cao, X.1
  • 12
    • 84863191323 scopus 로고    scopus 로고
    • 3D Graphene Foam as a Monolithic and Macroporous Carbon Electrode for Electrochemical Sensing
    • Dong, X. et al. 3D Graphene Foam as a Monolithic and Macroporous Carbon Electrode for Electrochemical Sensing. ACS Appl. Mater. Inter. 4, 3129-3133, doi:10.1021/am300459m (2012).
    • (2012) ACS Appl. Mater. Inter. , vol.4 , pp. 3129-3133
    • Dong, X.1
  • 13
    • 84864663974 scopus 로고    scopus 로고
    • Assembly of graphene sheets into 3D macroscopic structures
    • Yin, S., Niu, Z. & Chen, X. Assembly of graphene sheets into 3D macroscopic structures. Small 8, 2458-2463, doi:10.1002/smll.201102614 (2012).
    • (2012) Small , vol.8 , pp. 2458-2463
    • Yin, S.1    Niu, Z.2    Chen, X.3
  • 14
    • 84890762674 scopus 로고    scopus 로고
    • Three-dimensional strutted graphene grown by substrate-free sugar blowing for high-power-density supercapacitors
    • Wang, X. et al. Three-dimensional strutted graphene grown by substrate-free sugar blowing for high-power-density supercapacitors. Nat. Commun. 4, 2905, doi:10.1038/ncomms3905 (2013).
    • (2013) Nat. Commun. , vol.4 , pp. 2905
    • Wang, X.1
  • 15
    • 84862894222 scopus 로고    scopus 로고
    • 3D macroporous graphene frameworks for supercapacitors with high energy and power densities
    • Choi, B. G., Yang, M., Hong, W. H., Choi, J. W. & Huh, Y. S. 3D macroporous graphene frameworks for supercapacitors with high energy and power densities. ACS Nano 6, 4020-4028 (2012).
    • (2012) ACS Nano , vol.6 , pp. 4020-4028
    • Choi, B.G.1    Yang, M.2    Hong, W.H.3    Choi, J.W.4    Huh, Y.S.5
  • 16
    • 84860380328 scopus 로고    scopus 로고
    • 3d graphene-cobalt oxide electrode for high-performance supercapacitor and enzymeless glucose detection
    • Dong, X. et al. 3D Graphene-Cobalt Oxide Electrode for High-Performance Supercapacitor and Enzymeless Glucose Detection. ACS Nano 6, 3206-3213 (2012).
    • (2012) ACS Nano , vol.6 , pp. 3206-3213
    • Dong, X.1
  • 17
    • 84882404718 scopus 로고    scopus 로고
    • Assembly of tin oxide/graphene nanosheets into 3D hierarchical frameworks for high-performance lithium storage
    • Huang, Y. et al. Assembly of Tin Oxide/Graphene Nanosheets into 3D Hierarchical Frameworks for High-Performance Lithium Storage. Chem. Sus. Chem. 6, 1510-1515, doi:10.1002/cssc.201300109 (2013).
    • (2013) Chem. Sus. Chem. , vol.6 , pp. 1510-1515
    • Huang, Y.1
  • 18
    • 77957204738 scopus 로고    scopus 로고
    • Atomically thin MoS2: A new direct-gap semiconductor
    • Mak, K. F., Lee, C., Hone, J., Shan, J. &Heinz, T. F. Atomically Thin MoS2: A New Direct-Gap Semiconductor. Phys. Rev. Lett. 105, 136805 (2010).
    • (2010) Phys. Rev. Lett. , vol.105 , pp. 136805
    • Mak, K.F.1    Lee, C.2    Hone, J.3    Shan, J.4    Heinz, T.F.5
  • 19
    • 33644813745 scopus 로고    scopus 로고
    • Catalytic properties of single layers of transition metal sulfide catalytic materials
    • Chianelli, R. R. et al. Catalytic Properties of Single Layers of Transition Metal Sulfide Catalytic Materials. Catal. Rev. 48, 1-41, doi:10.1080/01614940500439776 (2006).
    • (2006) Catal. Rev. , vol.48 , pp. 1-41
    • Chianelli, R.R.1
  • 20
    • 84889264336 scopus 로고    scopus 로고
    • Controllable disorder engineering in oxygen-incorporated MoS2 ultrathin nanosheets for efficient hydrogen evolution
    • Xie, J. et al. Controllable Disorder Engineering in Oxygen-incorporated MoS2 Ultrathin Nanosheets for Efficient Hydrogen Evolution. J. Am. Chem. Soc. 135, 17881 (2013).
    • (2013) J. Am. Chem. Soc. , vol.135 , pp. 17881
    • Xie, J.1
  • 21
    • 84880372807 scopus 로고    scopus 로고
    • Enhanced hydrogen evolution catalysis from chemically exfoliated metallic MoS2 nanosheets
    • Lukowski, M. A. et al. Enhanced hydrogen evolution catalysis from chemically exfoliated metallic MoS2 nanosheets. J. Am. Chem. Soc. 135, 10274-10277, doi:10.1021/ja404523s (2013).
    • (2013) J. Am. Chem. Soc. , vol.135 , pp. 10274-10277
    • Lukowski, M.A.1
  • 22
    • 76249094640 scopus 로고    scopus 로고
    • Superior stability and high capacity of restacked molybdenum disulfide as anode material for lithium ion batteries
    • Du, G. et al. Superior stability and high capacity of restacked molybdenum disulfide as anode material for lithium ion batteries. Chem. Commun. 46, 1106-1108, doi:10.1039/B920277C (2010).
    • (2010) Chem. Commun. , vol.46 , pp. 1106-1108
    • Du, G.1
  • 23
    • 84873688493 scopus 로고    scopus 로고
    • Metal dichalcogenide nanosheets: Preparation, properties and applications
    • Huang, X., Zeng, Z. & Zhang, H. Metal dichalcogenide nanosheets: preparation, properties and applications. Chem. Soc. Rev. 42, 1934-1946, doi:10.1039/c2cs35387c (2013).
    • (2013) Chem. Soc. Rev. , vol.42 , pp. 1934-1946
    • Huang, X.1    Zeng, Z.2    Zhang, H.3
  • 24
    • 77955683172 scopus 로고    scopus 로고
    • Exfoliated MoS2 nanocomposite as an anode material for lithium ion batteries
    • Xiao, J. et al. Exfoliated MoS2 Nanocomposite as an Anode Material for Lithium Ion Batteries. Chem. Mater. 22, 4522-4524, doi:10.1021/cm101254j (2010).
    • (2010) Chem. Mater. , vol.22 , pp. 4522-4524
    • Xiao, J.1
  • 25
    • 84905728102 scopus 로고    scopus 로고
    • A stable, magnetic, and metallic Li3O4 compound as a discharge product in a Li-air battery
    • Yang, G., Wang, Y. & Ma, Y. A Stable, Magnetic, and Metallic Li3O4 Compound as a Discharge Product in a Li-Air Battery. J. Phys. Chem. Lett. 5, 2516-2521, doi:10.1021/jz501160z (2014).
    • (2014) J. Phys. Chem. Lett. , vol.5 , pp. 2516-2521
    • Yang, G.1    Wang, Y.2    Ma, Y.3
  • 26
    • 84886099147 scopus 로고    scopus 로고
    • Preparation of MoS2-coated three-dimensional graphene networks for high-performance anode material in lithium-ion batteries
    • Cao, X. et al. Preparation of MoS2-Coated Three-Dimensional Graphene Networks for High-Performance Anode Material in Lithium-Ion Batteries. Small 9, 3433-3438, doi:10.1002/smll.201202697 (2013).
    • (2013) Small , vol.9 , pp. 3433-3438
    • Cao, X.1
  • 27
    • 84877302282 scopus 로고    scopus 로고
    • Three-dimensional hierarchical architectures constructed by graphene/MoS2 nanoflake arrays and their rapid charging/discharging properties as lithium-ion battery anodes
    • Yu, H. et al. Three-Dimensional Hierarchical Architectures Constructed by Graphene/MoS2 Nanoflake Arrays and Their Rapid Charging/Discharging Properties as Lithium-Ion Battery Anodes. Chem.-Euro. J. 19, 5818-5823, doi:10.1002/chem.201300072 (2013).
    • (2013) Chem.-Euro. J. , vol.19 , pp. 5818-5823
    • Yu, H.1
  • 28
    • 84890553238 scopus 로고    scopus 로고
    • Tunable assembly of sp3cross-linked 3D graphene monoliths: A first-principles prediction
    • Jiang, X., Zhao, J., Li, Y.-L. & Ahuja, R. Tunable Assembly of sp3Cross-Linked 3D Graphene Monoliths: A First-Principles Prediction. Adv. Funct. Mater. 23, 5846-5853, doi:10.1002/adfm.201301077 (2013).
    • (2013) Adv. Funct. Mater. , vol.23 , pp. 5846-5853
    • Jiang, X.1    Zhao, J.2    Li, Y.-L.3    Ahuja, R.4
  • 29
    • 84889853251 scopus 로고    scopus 로고
    • Three-dimensional metallic boron nitride
    • Zhang, S., Wang, Q., Kawazoe, Y. & Jena, P. Three-dimensional metallic boron nitride. J. Am. Chem. Soc. 135, 18216-18221, doi:10.1021/ja410088y (2013).
    • (2013) J. Am. Chem. Soc. , vol.135 , pp. 18216-18221
    • Zhang, S.1    Wang, Q.2    Kawazoe, Y.3    Jena, P.4
  • 30
    • 84902001191 scopus 로고    scopus 로고
    • A novel three dimensional semimetallic MoS2
    • Tang, Z.-K., Zhang, H., Liu, H., Lau, W.-M. & Liu, L.-M. A novel three dimensional semimetallic MoS2. J. Appl. Phys. 115, 204302, doi:10.1063/1.4879241 (2014).
    • (2014) J. Appl. Phys. , vol.115 , pp. 204302
    • Tang, Z.-K.1    Zhang, H.2    Liu, H.3    Lau, W.-M.4    Liu, L.-M.5
  • 31
    • 57549105653 scopus 로고    scopus 로고
    • MoS2 nanoribbons: High stability and unusual electronic and magnetic properties
    • Li, Y., Zhou, Z., Zhang, S. & Chen, Z. MoS2 Nanoribbons: High Stability and Unusual Electronic and Magnetic Properties. J. Am. Chem. Soc. 130, 16739-16744, doi:10.1021/ja805545x (2008).
    • (2008) J. Am. Chem. Soc. , vol.130 , pp. 16739-16744
    • Li, Y.1    Zhou, Z.2    Zhang, S.3    Chen, Z.4
  • 32
    • 77957322380 scopus 로고    scopus 로고
    • Mixed low-dimensional nanomaterial: 2D ultranarrow MoS2 inorganic nanoribbons encapsulated in quasi-1D carbon nanotubes
    • Wang, Z. et al. Mixed Low-Dimensional Nanomaterial: 2D Ultranarrow MoS2 Inorganic Nanoribbons Encapsulated in Quasi-1D Carbon Nanotubes. J. Am. Chem. Soc. 132, 13840-13847, doi:10.1021/ja1058026 (2010).
    • (2010) J. Am. Chem. Soc. , vol.132 , pp. 13840-13847
    • Wang, Z.1
  • 33
    • 0037799714 scopus 로고    scopus 로고
    • Hybrid functionals based on a screened Coulomb potential
    • Heyd, J., Scuseria, G. E. & Ernzerhof, M. Hybrid functionals based on a screened Coulomb potential. J. Chem. Phys. 118, 8207-8215, doi:10.1063/1.1564060 (2003).
    • (2003) J. Chem. Phys. , vol.118 , pp. 8207-8215
    • Heyd, J.1    Scuseria, G.E.2    Ernzerhof, M.3
  • 34
    • 34547139312 scopus 로고    scopus 로고
    • Erratum: "Hybrid functionals based on a screened Coulomb potential" [J. Chem. Phys.118, 8207 (2003)]
    • Heyd, J., Scuseria, G. E. & Ernzerhof, M. Erratum: "Hybrid functionals based on a screened Coulomb potential" [J. Chem. Phys.118, 8207 (2003)]. J. Chem. Phys. 124, 219906, doi:10.1063/1.2204597 (2006).
    • (2006) J. Chem. Phys. , vol.124 , pp. 219906
    • Heyd, J.1    Scuseria, G.E.2    Ernzerhof, M.3
  • 35
    • 4243343522 scopus 로고
    • Spin-orbit coupling effects in zinc blende structures
    • Dresselhaus, G. Spin-Orbit Coupling Effects in Zinc Blende Structures. Physical Review 100, 580-586, doi:10.1103/PhysRev.100.580 (1955).
    • (1955) Physical Review , vol.100 , pp. 580-586
    • Dresselhaus, G.1
  • 36
    • 84867637361 scopus 로고    scopus 로고
    • Tuning magnetism and electronic phase transitions by strain and electric field in zigzag MoS2 nanoribbons
    • Kou, L. et al. Tuning Magnetism and Electronic Phase Transitions by Strain and Electric Field in Zigzag MoS2 Nanoribbons. The Journal of Physical Chemistry Letters 3, 2934-2941, doi:10.1021/jz301339e (2012).
    • (2012) The Journal of Physical Chemistry Letters , vol.3 , pp. 2934-2941
    • Kou, L.1
  • 37
    • 84887836437 scopus 로고    scopus 로고
    • Electronic structural Moire pattern effects on MoS2/MoSe2 2D heterostructures
    • Kang, J., Li, J., Li, S. S., Xia, J. B. &Wang, L. W. Electronic structural Moire pattern effects on MoS2/MoSe2 2D heterostructures. Nano Lett. 13, 5485-5490, doi:10.1021/nl4030648 (2013).
    • (2013) Nano Lett. , vol.13 , pp. 5485-5490
    • Kang, J.1    Li, J.2    Li, S.S.3    Xia, J.B.4    Wang, L.W.5
  • 38
    • 29744447464 scopus 로고    scopus 로고
    • Energetics of the Li amide/Li imide hydrogen storage reaction
    • Herbst, J. & Hector, L. Energetics of the Li amide/Li imide hydrogen storage reaction. Phys. Rev. B 72, 125120, doi:10.1103/PhysRevB.72.125120 (2005).
    • (2005) Phys. Rev. B , vol.72 , pp. 125120
    • Herbst, J.1    Hector, L.2
  • 39
    • 27744446617 scopus 로고    scopus 로고
    • Coulombic amino group-metal bonding: Adsorption of adenine on cu(110)
    • Preuss, M., Schmidt, W. & Bechstedt, F. Coulombic Amino Group-Metal Bonding: Adsorption of Adenine on Cu(110). Phys. Rev. Lett. 94, 236102, doi:10.1103/PhysRevLett.94.236102 (2005).
    • (2005) Phys. Rev. Lett. , vol.94 , pp. 236102
    • Preuss, M.1    Schmidt, W.2    Bechstedt, F.3
  • 40
    • 84865078175 scopus 로고    scopus 로고
    • Enhanced Li adsorption and diffusion on MoS2 zigzag nanoribbons by edge effects: A computational study
    • Li, Y., Wu, D., Zhou, Z., Cabrera, C. R. & Chen, Z. Enhanced Li Adsorption and Diffusion on MoS2 Zigzag Nanoribbons by Edge Effects: A Computational Study. J. Phys. Chem. Lett. 3, 2221-2227, doi:10.1021/jz300792n (2012).
    • (2012) J. Phys. Chem. Lett. , vol.3 , pp. 2221-2227
    • Li, Y.1    Wu, D.2    Zhou, Z.3    Cabrera, C.R.4    Chen, Z.5
  • 41
    • 45749127809 scopus 로고    scopus 로고
    • First-principles study of metal adatom adsorption on graphene
    • Chan, K. T., Neaton, J. B. & Cohen, M. L. First-principles study of metal adatom adsorption on graphene. Phys. Rev. B 77, 235430, doi:10.1103/PhysRevB.77.235430 (2008).
    • (2008) Phys. Rev. B , vol.77 , pp. 235430
    • Chan, K.T.1    Neaton, J.B.2    Cohen, M.L.3
  • 42
    • 84871584688 scopus 로고    scopus 로고
    • Lithium storage on graphdiyne predicted by DFT calculations
    • Sun, C. & Searles, D. J. Lithium Storage on Graphdiyne Predicted by DFT Calculations. J. Phys. Chem. C 116, 26222-26226, doi:10.1021/jp309638z (2012).
    • (2012) J. Phys. Chem. C , vol.116 , pp. 26222-26226
    • Sun, C.1    Searles, D.J.2
  • 43
    • 2442537377 scopus 로고    scopus 로고
    • Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
    • Kresse, G. & Furthmüller, J. Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set. Phys. Rev. B 54, 11169-11186 (1996).
    • (1996) Phys. Rev. B , vol.54 , pp. 11169-11186
    • Kresse, G.1    Furthmüller, J.2
  • 44
    • 0030190741 scopus 로고    scopus 로고
    • Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
    • Kresse, G. & Furthmüller, J. Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set. Comput. Mater. Sci. 6, 15-50, doi:DOI: 10.1016/0927-0256(96)00008-0 (1996).
    • (1996) Comput. Mater. Sci. , vol.6 , pp. 15-50
    • Kresse, G.1    Furthmüller, J.2
  • 45
    • 0011236321 scopus 로고    scopus 로고
    • From ultrasoft pseudopotentials to the projector augmented-wave method
    • Kresse, G. & Joubert, D. From ultrasoft pseudopotentials to the projector augmented-wave method. Phys. Rev. B 59, 1758-1775 (1999).
    • (1999) Phys. Rev. B , vol.59 , pp. 1758-1775
    • Kresse, G.1    Joubert, D.2
  • 46
    • 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. 77, 3865-3868 (1996).
    • (1996) Phys. Rev. Lett. , vol.77 , pp. 3865-3868
    • Perdew, J.P.1    Burke, K.2    Ernzerhof, M.3
  • 47
    • 0035891306 scopus 로고    scopus 로고
    • Towards extending the applicability of density functional theory to weakly bound systems
    • Wu, X., Vargas, M. C., Nayak, S., Lotrich, V. & Scoles, G. Towards extending the applicability of density functional theory to weakly bound systems. J. Chem. Phys. 115, 8748-8757, doi:10.1063/1.1412004 (2001).
    • (2001) J. Chem. Phys. , vol.115 , pp. 8748-8757
    • Wu, X.1    Vargas, M.C.2    Nayak, S.3    Lotrich, V.4    Scoles, G.5
  • 48
    • 15344345714 scopus 로고    scopus 로고
    • Quickstep: Fast and accurate density functional calculations using a mixed Gaussian and plane waves approach
    • VandeVondele, J. et al. Quickstep: Fast and accurate density functional calculations using a mixed Gaussian and plane waves approach. Comput. Phys. Commun. 167, 103-128, doi:10.1016/j.cpc.2004.12.014 (2005).
    • (2005) Comput. Phys. Commun. , vol.167 , pp. 103-128
    • VandeVondele, J.1
  • 49
    • 34648843516 scopus 로고    scopus 로고
    • Gaussian basis sets for accurate calculations on molecular systems in gas and condensed phases
    • VandeVondele, J. & Hutter, J. Gaussian basis sets for accurate calculations on molecular systems in gas and condensed phases. The Journal of chemical physics 127, 114105, doi:10.1063/1.2770708 (2007).
    • (2007) The Journal of Chemical Physics , vol.127 , pp. 114105
    • VandeVondele, J.1    Hutter, J.2
  • 50
    • 79957733672 scopus 로고    scopus 로고
    • Growth and organization of an organic molecular monolayer on TiO2: Catechol on anatase (101)
    • Liu, L.-M., Li, S.-C., Cheng, H.,Diebold, U.&Selloni, A. Growth andOrganization of an Organic Molecular Monolayer on TiO2: Catechol on Anatase (101). J. Am. Chem. Soc. 133, 7816-7823, doi:10.1021/ja200001r (2011).
    • (2011) J. Am. Chem. Soc. , vol.133 , pp. 7816-7823
    • Liu, L.-M.1    Li, S.-C.2    Cheng, H.3    Diebold, U.4    Selloni, A.5
  • 51
    • 84869483092 scopus 로고    scopus 로고
    • Enhanced thermal decomposition of nitromethane on functionalized graphene sheets: Ab initio molecular dynamics simulations
    • Liu, L.-M. et al. Enhanced Thermal Decomposition of Nitromethane on Functionalized Graphene Sheets: Ab Initio Molecular Dynamics Simulations. J. Am. Chem. Soc. 134, 19011-19016, doi:10.1021/ja3058277 (2012).
    • (2012) J. Am. Chem. Soc. , vol.134 , pp. 19011-19016
    • Liu, L.-M.1
  • 52
    • 0034513054 scopus 로고    scopus 로고
    • A climbing image nudged elastic bandmethod for finding saddle points and minimum energy paths
    • Henkelman, G., Uberuaga, B. P. & Jónsson, H. A climbing image nudged elastic bandmethod for finding saddle points and minimum energy paths. J. Chem. Phys. 113, 9901-9904, doi:10.1063/1.1329672 (2000).
    • (2000) J. Chem. Phys. , vol.113 , pp. 9901-9904
    • Henkelman, G.1    Uberuaga, B.P.2    Jónsson, H.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.