306
P. Veerakumar et al.
46. G. Lim, K.B. Lee, H.C. Ham, Effect of N-containing functional groups on CO 2 adsorption of
carbonaceous materials: A density functional theory approach. J. Phys. Chem. C 120, 8087–
8095 (2016)
47. S. Grimme, Semiempirical GGA-type density functional constructed with a long-range
dispersion correction. J. Comput. Chem. 27, 1787–1799 (2006)
48. X. Wang, Y. Liu, X. Ma, S.K. Das, M. Ostwal, I. Gadwal, K. Yao, X. Dong, Y. Han, I. Pinnau,
Soluble polymers with intrinsic porosity for flue gas purification and natural gas upgrading.
Adv. Mater. 29, 1605826 (2017)
49. P. Geerlings, F. De Proft, W. Langenaeker, Conceptual density functional theory. Chem. Rev.
103, 1793–1874 (2003)
50. A. Zangwill, The education of Walter Kohn and the creation of density functional theory.
Arch. Hist. Exact Sci. 68, 775–848 (2014)
51. R.O. Jones, Density functional theory: Its origins, rise to prominence, and future. Rev. Mod.
Phys. 87, 897–923 (2015)
52. E. Furimsky, Graphene-derived supports for hydroprocessing catalysts. Ind. Eng. Chem. Res.
56, 11359–11371 (2017)
53. B.C. Thompson, E. Murray, G.G. Wallace, Graphite oxide to graphene. Biomaterials to
bionics. Adv. Mater. 27, 7563–7582 (2015)
54. Z. Huang, H. Zhou, W. Yang, C. Fu, L. Chen, Y. Kuang, Three-dimensional hierarchical
porous nitrogen and sulfur-codoped graphene nanosheets for oxygen reduction in both
alkaline and acidic media. ChemCatChem 9, 987–996 (2017)
55. I. Shimoyama, Y. Baba, Thiophene adsorption on phosphorus and nitrogen-doped graphites:
Control of desulfurization properties of carbon materials by heteroatom doping. Carbon 98,
115–125 (2016)
56. M. Gomez-Martínez, A. Baeza, D.A. Alonso, Pinacol rearrangement and direct nucleophilic
substitution of allylic alcohols promoted by graphene oxide and graphene oxide CO 2 H.
ChemCatChem 9, 1032–1039 (2017)
57. H. Ahmad, M. Fan, D. Hui, Graphene oxide incorporated functional materials: A review.
Compos. Part B 145, 270–280 (2018)
58. S. Ren, P. Rong, Q. Yu, Preparations, properties and applications of graphene in functional
devices: A concise review. Ceram. Int. 44, 11940–11955 (2018)
59. M. Sun, J. Li, Graphene oxide membranes: Functional structures, preparation and environmental applications. Nano Today 20, 121–137 (2018)
60. L. Zhang, Q. Xu, J. Niu, Z. Xia, Role of lattice defects in catalytic activities of graphene
clusters for fuel cells. Phys. Chem. Chem. Phys. 17, 16733–16743 (2015)
61. Z. Zhao, M. Li, L. Zhang, L. Dai, Z. Xia, Design principles for heteroatom-doped carbon
nanomaterials as highly efficient catalysts for fuel cells and metal–air batteries. Adv. Mater.
27, 6834–6840 (2015)
62. Y. Zheng, Y. Jiao, Y. Zhu, L.H. Li, Y. Han, Y. Chen, A. Du, M. Jaroniec, S.Z. Qiao, Hydrogen
evolution by a metal-free electrocatalyst. Nat. Commun. 5, 3783 (2014)
63. C.J. Paez, A.L.C. Pereira, J.N.B. Rodrigues, N.M.R. Peres, Electronic transport across linear
defects in graphene. Phys. Rev. B–Condens. Matter Mater. Phys. 92, 045426 (2015)
64. L. Zhang, Z. Xia, Mechanisms of oxygen reduction reaction on nitrogen-doped graphene for
fuel cells. J. Phys. Chem. C 115, 11170–11176 (2011)
65. G.L. Tian, M.Q. Zhao, D. Yu, X.Y. Kong, J.Q. Huang, Q. Zhang, F. Wei, Nitrogen-doped
graphene/carbon nanotube hybrids: In situ formation on bifunctional catalysts and their
superior electrocatalytic activity for oxygen evolution/reduction reaction. Small 10, 2251–
2259 (2014)
66. C.L. Su, K.P. Loh, Carbocatalysts: Graphene oxide and its derivatives. Acc. Chem. Res. 46,
2275–2285 (2013)
67. L. Lai, J.R. Potts, D. Zhan, L. Wang, C.K. Poh, C. Tang, H. Gong, Z. Shen, J. Lin, R.S.
Ruoff, Exploration of the active center structure of nitrogen-doped graphene-based catalysts
for oxygen reduction reaction. Energy Environ. Sci. 5, 7936–7942 (2012)
P. Veerakumar et al.
46. G. Lim, K.B. Lee, H.C. Ham, Effect of N-containing functional groups on CO 2 adsorption of
carbonaceous materials: A density functional theory approach. J. Phys. Chem. C 120, 8087–
8095 (2016)
47. S. Grimme, Semiempirical GGA-type density functional constructed with a long-range
dispersion correction. J. Comput. Chem. 27, 1787–1799 (2006)
48. X. Wang, Y. Liu, X. Ma, S.K. Das, M. Ostwal, I. Gadwal, K. Yao, X. Dong, Y. Han, I. Pinnau,
Soluble polymers with intrinsic porosity for flue gas purification and natural gas upgrading.
Adv. Mater. 29, 1605826 (2017)
49. P. Geerlings, F. De Proft, W. Langenaeker, Conceptual density functional theory. Chem. Rev.
103, 1793–1874 (2003)
50. A. Zangwill, The education of Walter Kohn and the creation of density functional theory.
Arch. Hist. Exact Sci. 68, 775–848 (2014)
51. R.O. Jones, Density functional theory: Its origins, rise to prominence, and future. Rev. Mod.
Phys. 87, 897–923 (2015)
52. E. Furimsky, Graphene-derived supports for hydroprocessing catalysts. Ind. Eng. Chem. Res.
56, 11359–11371 (2017)
53. B.C. Thompson, E. Murray, G.G. Wallace, Graphite oxide to graphene. Biomaterials to
bionics. Adv. Mater. 27, 7563–7582 (2015)
54. Z. Huang, H. Zhou, W. Yang, C. Fu, L. Chen, Y. Kuang, Three-dimensional hierarchical
porous nitrogen and sulfur-codoped graphene nanosheets for oxygen reduction in both
alkaline and acidic media. ChemCatChem 9, 987–996 (2017)
55. I. Shimoyama, Y. Baba, Thiophene adsorption on phosphorus and nitrogen-doped graphites:
Control of desulfurization properties of carbon materials by heteroatom doping. Carbon 98,
115–125 (2016)
56. M. Gomez-Martínez, A. Baeza, D.A. Alonso, Pinacol rearrangement and direct nucleophilic
substitution of allylic alcohols promoted by graphene oxide and graphene oxide CO 2 H.
ChemCatChem 9, 1032–1039 (2017)
57. H. Ahmad, M. Fan, D. Hui, Graphene oxide incorporated functional materials: A review.
Compos. Part B 145, 270–280 (2018)
58. S. Ren, P. Rong, Q. Yu, Preparations, properties and applications of graphene in functional
devices: A concise review. Ceram. Int. 44, 11940–11955 (2018)
59. M. Sun, J. Li, Graphene oxide membranes: Functional structures, preparation and environmental applications. Nano Today 20, 121–137 (2018)
60. L. Zhang, Q. Xu, J. Niu, Z. Xia, Role of lattice defects in catalytic activities of graphene
clusters for fuel cells. Phys. Chem. Chem. Phys. 17, 16733–16743 (2015)
61. Z. Zhao, M. Li, L. Zhang, L. Dai, Z. Xia, Design principles for heteroatom-doped carbon
nanomaterials as highly efficient catalysts for fuel cells and metal–air batteries. Adv. Mater.
27, 6834–6840 (2015)
62. Y. Zheng, Y. Jiao, Y. Zhu, L.H. Li, Y. Han, Y. Chen, A. Du, M. Jaroniec, S.Z. Qiao, Hydrogen
evolution by a metal-free electrocatalyst. Nat. Commun. 5, 3783 (2014)
63. C.J. Paez, A.L.C. Pereira, J.N.B. Rodrigues, N.M.R. Peres, Electronic transport across linear
defects in graphene. Phys. Rev. B–Condens. Matter Mater. Phys. 92, 045426 (2015)
64. L. Zhang, Z. Xia, Mechanisms of oxygen reduction reaction on nitrogen-doped graphene for
fuel cells. J. Phys. Chem. C 115, 11170–11176 (2011)
65. G.L. Tian, M.Q. Zhao, D. Yu, X.Y. Kong, J.Q. Huang, Q. Zhang, F. Wei, Nitrogen-doped
graphene/carbon nanotube hybrids: In situ formation on bifunctional catalysts and their
superior electrocatalytic activity for oxygen evolution/reduction reaction. Small 10, 2251–
2259 (2014)
66. C.L. Su, K.P. Loh, Carbocatalysts: Graphene oxide and its derivatives. Acc. Chem. Res. 46,
2275–2285 (2013)
67. L. Lai, J.R. Potts, D. Zhan, L. Wang, C.K. Poh, C. Tang, H. Gong, Z. Shen, J. Lin, R.S.
Ruoff, Exploration of the active center structure of nitrogen-doped graphene-based catalysts
for oxygen reduction reaction. Energy Environ. Sci. 5, 7936–7942 (2012)