-
1
-
-
7444220645
-
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
-
2
-
-
59949098337
-
The electronic properties of graphene
-
Neto, A. H. C., Peres, N. M. R., Novoselov, K. S. & Geim, A. K. The electronic properties of graphene. Rev. Mod. Phys. 81, 109-162, doi:10.1103/RevModPhys.81.109 (2009).
-
(2009)
Rev. Mod. Phys.
, vol.81
, pp. 109-162
-
-
Neto, A.H.C.1
Peres, N.M.R.2
Novoselov, K.S.3
Geim, A.K.4
-
3
-
-
77950418694
-
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
-
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
-
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
-
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
-
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
-
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
-
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
-
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
-
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
-
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
-
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
-
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
-
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
-
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
-
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
-
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
-
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
-
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
-
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
-
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
-
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
-
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
-
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
-
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
-
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
-
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
-
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
-
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
-
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
-
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
-
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
-
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
-
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
-
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
-
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
-
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
-
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
-
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
-
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
-
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
-
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
-
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
-
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
-
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
-
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
-
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
-
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
-
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
-
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
-
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
|