메뉴 건너뛰기




Volumn 94, Issue 9, 2016, Pages

Carbon nitride frameworks and dense crystalline polymorphs

Author keywords

[No Author keywords available]

Indexed keywords


EID: 84990924585     PISSN: 24699950     EISSN: 24699969     Source Type: Journal    
DOI: 10.1103/PhysRevB.94.094104     Document Type: Article
Times cited : (55)

References (72)
  • 1
    • 2342536975 scopus 로고    scopus 로고
    • Novel group 14 nitrides
    • E. Kroke and M. Schwarz, Novel group 14 nitrides, Coord. Chem. Rev. 248, 493 (2004). CCHRAM 0010-8545 10.1016/j.ccr.2004.02.001
    • (2004) Coord. Chem. Rev. , vol.248 , pp. 493
    • Kroke, E.1    Schwarz, M.2
  • 2
    • 84877133810 scopus 로고    scopus 로고
    • Tri-(Equation presented)-triazines ((Equation presented)-heptazines)-from a "mystery molecule" to industrially relevant carbon nitride materials
    • A. Schwarzer, T. Saplinova, and E. Kroke, Tri-(Equation presented)-triazines ((Equation presented)-heptazines)-from a "mystery molecule" to industrially relevant carbon nitride materials, Coord. Chem. Rev. 257, 2032 (2013). CCHRAM 0010-8545 10.1016/j.ccr.2012.12.006
    • (2013) Coord. Chem. Rev. , vol.257 , pp. 2032
    • Schwarzer, A.1    Saplinova, T.2    Kroke, E.3
  • 3
    • 54049153179 scopus 로고    scopus 로고
    • Graphitic carbon nitride materials: Variation of structure and morphology and their use as metal-free catalysts
    • A. Thomas, A. Fischer, F. Goettmann, M. Antonietti, J.-O. Müller, R. Schlögle, and J. M. Carlsson, Graphitic carbon nitride materials: Variation of structure and morphology and their use as metal-free catalysts, J. Mater. Chem. 18, 4893 (2008). JMACEP 0959-9428 10.1039/b800274f
    • (2008) J. Mater. Chem. , vol.18 , pp. 4893
    • Thomas, A.1    Fischer, A.2    Goettmann, F.3    Antonietti, M.4    Müller, J.-O.5    Schlögle, R.6    Carlsson, J.M.7
  • 4
    • 36549047424 scopus 로고    scopus 로고
    • State of art and recent trends in bulk carbon nitrides synthesis
    • G. Goglio, D. Foy, and G. Demazeau, State of art and recent trends in bulk carbon nitrides synthesis, Mater. Sci. Eng., R 58, 195 (2008). MIGIEA 0927-796X 10.1016/j.mser.2007.10.001
    • (2008) Mater. Sci. Eng., R , vol.58 , pp. 195
    • Goglio, G.1    Foy, D.2    Demazeau, G.3
  • 5
    • 0034324941 scopus 로고    scopus 로고
    • Critical observations in the research of carbon nitride
    • T. Malkow, Critical observations in the research of carbon nitride, Mater. Sci. Eng., A 292, 112 (2000). MSAPE3 0921-5093 10.1016/S0921-5093(00)00960-6
    • (2000) Mater. Sci. Eng., A , vol.292 , pp. 112
    • Malkow, T.1
  • 6
    • 57849130247 scopus 로고    scopus 로고
    • A metal-free polymeric photocatalyst for hydrogen production from water under visible light
    • X. Wang, K. Maeda, A. Thomas, K. Takanabe, G. Xin, J. M. Carlsson, K. Domen, and M. Antonietti, A metal-free polymeric photocatalyst for hydrogen production from water under visible light, Nat. Mater. 8, 76 (2009). 1476-1122 10.1038/nmat2317
    • (2009) Nat. Mater. , vol.8 , pp. 76
    • Wang, X.1    Maeda, K.2    Thomas, A.3    Takanabe, K.4    Xin, G.5    Carlsson, J.M.6    Domen, K.7    Antonietti, M.8
  • 7
    • 34250342222 scopus 로고    scopus 로고
    • Unmasking melon by a complementary approach employing electron diffraction, solid-state NMR spectroscopy, and theoretical calculations-structural characterization of a carbon nitride polymer
    • B. V. Lotsch, M. Döblinger, J. Sehnert, L. Seyfarth, J. Senker, O. Oeckler, and W. Schnick, Unmasking melon by a complementary approach employing electron diffraction, solid-state NMR spectroscopy, and theoretical calculations-structural characterization of a carbon nitride polymer, Chem.-Eur. J. 13, 4969 (2007). CEUJED 0947-6539 10.1002/chem.200601759
    • (2007) Chem. - Eur. J. , vol.13 , pp. 4969
    • Lotsch, B.V.1    Döblinger, M.2    Sehnert, J.3    Seyfarth, L.4    Senker, J.5    Oeckler, O.6    Schnick, W.7
  • 8
    • 0042388623 scopus 로고    scopus 로고
    • Melem (2, 5, 8-triamino-tri-(Equation presented)-triazine), an important intermediate during condensation of melamine rings to graphitic carbon nitride: Synthesis, structure determination by x-ray powder diffractometry, solid-state NMR, and theoretical studies
    • B. Jurgens, E. Irran, J. Senker, P. Kroll, H. Muller, and W. Schnick, Melem (2, 5, 8-triamino-tri-(Equation presented)-triazine), an important intermediate during condensation of melamine rings to graphitic carbon nitride: Synthesis, structure determination by x-ray powder diffractometry, solid-state NMR, and theoretical studies, J. Am. Chem. Soc. 125, 10288 (2003). JACSAT 0002-7863 10.1021/ja0357689
    • (2003) J. Am. Chem. Soc. , vol.125 , pp. 10288
    • Jurgens, B.1    Irran, E.2    Senker, J.3    Kroll, P.4    Muller, H.5    Schnick, W.6
  • 9
    • 34250367104 scopus 로고    scopus 로고
    • New light on an old story: Formation of melam during thermal condensation of melamine
    • B. V. Lotsch and W. Schnick, New light on an old story: Formation of melam during thermal condensation of melamine, Chem.-Eur. J. 13, 4956 (2007). CEUJED 0947-6539 10.1002/chem.200601291
    • (2007) Chem. - Eur. J. , vol.13 , pp. 4956
    • Lotsch, B.V.1    Schnick, W.2
  • 10
    • 53849099698 scopus 로고    scopus 로고
    • Ionothermal synthesis of crystalline, condensed, graphitic carbon nitride
    • M. J. Bojdys, J.-O. Mueller, M. Antonietti, and A. Thomas, Ionothermal synthesis of crystalline, condensed, graphitic carbon nitride, Chem.-Eur. J. 14, 8177 (2008). CEUJED 0947-6539 10.1002/chem.200800190
    • (2008) Chem. - Eur. J. , vol.14 , pp. 8177
    • Bojdys, M.J.1    Mueller, J.-O.2    Antonietti, M.3    Thomas, A.4
  • 11
    • 79952177477 scopus 로고    scopus 로고
    • Poly(triazine imide) with intercalation of lithium and chloride ions (Equation presented): A crystalline 2D carbon nitride network
    • E. Wirnhier, M. Döblinger, D. Gunzelmann, J. Senker, B. V. Lotsch, and W. Schnick, Poly(triazine imide) with intercalation of lithium and chloride ions (Equation presented): A crystalline 2D carbon nitride network, Chem.-Eur. J. 17, 3213 (2011). CEUJED 0947-6539 10.1002/chem.201002462
    • (2011) Chem. - Eur. J. , vol.17 , pp. 3213
    • Wirnhier, E.1    Döblinger, M.2    Gunzelmann, D.3    Senker, J.4    Lotsch, B.V.5    Schnick, W.6
  • 13
    • 0034808010 scopus 로고    scopus 로고
    • High-pressure bulk synthesis of crystalline (Equation presented): A novel (Equation presented) graphitic derivative
    • Z. Zhang, K. Leinenweber, Matt Bauer, Laurence A. J. Garvie, P. F. McMillan, and G. H. Wolf, High-pressure bulk synthesis of crystalline (Equation presented): a novel (Equation presented) graphitic derivative, J. Am. Chem. Soc. 123, 7788 (2001). JACSAT 0002-7863 10.1021/ja0103849
    • (2001) J. Am. Chem. Soc. , vol.123 , pp. 7788
    • Zhang, Z.1    Leinenweber, K.2    Bauer, M.3    Garvie, J.L.A.4    McMillan, P.F.5    Wolf, G.H.6
  • 15
    • 0000286107 scopus 로고
    • Stability of carbon nitride solids
    • A. Y. Liu and R. M. Wentzcovitch, Stability of carbon nitride solids, Phys. Rev. B 50, 10362 (1994). PRBMDO 0163-1829 10.1103/PhysRevB.50.10362
    • (1994) Phys. Rev. B , vol.50 , pp. 10362
    • Liu, A.Y.1    Wentzcovitch, R.M.2
  • 16
    • 0030569717 scopus 로고    scopus 로고
    • Low-compressibility carbon nitrides
    • D. M. Teter and R. J. Hemley, Low-compressibility carbon nitrides, Science 271, 53 (1996). SCIEAS 0036-8075 10.1126/science.271.5245.53
    • (1996) Science , vol.271 , pp. 53
    • Teter, D.M.1    Hemley, R.J.2
  • 18
    • 33751158752 scopus 로고
    • Novel synthetic routes to carbon-nitrogen thin films
    • J. Kouvetakis, M. Todd, B. Wilkens, A. Bandari, and N. Cave, Novel synthetic routes to carbon-nitrogen thin films, Chem. Mater. 6, 811 (1994). CMATEX 0897-4756 10.1021/cm00042a018
    • (1994) Chem. Mater. , vol.6 , pp. 811
    • Kouvetakis, J.1    Todd, M.2    Wilkens, B.3    Bandari, A.4    Cave, N.5
  • 19
    • 0001423233 scopus 로고
    • Relative stability of hexagonal and planar structures of hypothetical (Equation presented) solids
    • J. Ortega and O. F. Sankey, Relative stability of hexagonal and planar structures of hypothetical (Equation presented) solids, Phys. Rev. B 51, 2624 (1995). PRBMDO 0163-1829 10.1103/PhysRevB.51.2624
    • (1995) Phys. Rev. B , vol.51 , pp. 2624
    • Ortega, J.1    Sankey, O.F.2
  • 20
    • 0000349688 scopus 로고    scopus 로고
    • Relative stability of some possible phases of graphitic carbon nitride
    • J. E. Lowther, Relative stability of some possible phases of graphitic carbon nitride, Phys. Rev. B 59, 11683 (1999). PRBMDO 0163-1829 10.1103/PhysRevB.59.11683
    • (1999) Phys. Rev. B , vol.59 , pp. 11683
    • Lowther, J.E.1
  • 21
    • 84877847958 scopus 로고    scopus 로고
    • Exfoliation of crystalline 2D carbon nitride: Thin sheets, scrolls and bundles via mechanical and chemical routes
    • M. J. Bojdys, N. Severin, J. P. Rabe, A. I. Cooper, A. Thomas, and M. Antonietti, Exfoliation of crystalline 2D carbon nitride: thin sheets, scrolls and bundles via mechanical and chemical routes, Macromol. Rapid Commun. 34, 850 (2013). 1022-1336 10.1002/marc.201300086
    • (2013) Macromol. Rapid Commun. , vol.34 , pp. 850
    • Bojdys, M.J.1    Severin, N.2    Rabe, J.P.3    Cooper, A.I.4    Thomas, A.5    Antonietti, M.6
  • 22
    • 84902809964 scopus 로고    scopus 로고
    • Proton-functionalized two-dimensional graphitic carbon nitride nanosheet: An excellent metal-/label-free biosensing platform
    • T. Y. Ma, Y. Tang, S. Dai, and S. Z. Qiao, Proton-functionalized two-dimensional graphitic carbon nitride nanosheet: An excellent metal-/label-free biosensing platform, Small 10, 2382 (2014). 1613-6810 10.1002/smll.201303827
    • (2014) Small , vol.10 , pp. 2382
    • Ma, T.Y.1    Tang, Y.2    Dai, S.3    Qiao, S.Z.4
  • 23
    • 47149111247 scopus 로고    scopus 로고
    • Electronic and structural properties of two-dimensional carbon nitride graphenes
    • M. Deifallah, P. F. McMillan, and F. Cora, Electronic and structural properties of two-dimensional carbon nitride graphenes, J. Phys. Chem. C 112, 5447 (2008). 1932-7447 10.1021/jp711483t
    • (2008) J. Phys. Chem. C , vol.112 , pp. 5447
    • Deifallah, M.1    McMillan, P.F.2    Cora, F.3
  • 25
    • 0000092194 scopus 로고
    • Calculation of bulk moduli of diamond and zinc-blende solids
    • M. L. Cohen, Calculation of bulk moduli of diamond and zinc-blende solids, Phys. Rev. B 32, 7988 (1985). PRBMDO 0163-1829 10.1103/PhysRevB.32.7988
    • (1985) Phys. Rev. B , vol.32 , pp. 7988
    • Cohen, M.L.1
  • 26
    • 20444373328 scopus 로고
    • Prediction of new low compressibility solids
    • A. Y. Liu and M. L. Cohen, Prediction of new low compressibility solids, Science 245, 841 (1989). SCIEAS 0036-8075 10.1126/science.245.4920.841
    • (1989) Science , vol.245 , pp. 841
    • Liu, A.Y.1    Cohen, M.L.2
  • 27
    • 0042059097 scopus 로고
    • Structural properties and electronic structure of low-compressibility materials: (Equation presented) and hypothetical (Equation presented)
    • A. Y. Liu and M. L. Cohen, Structural properties and electronic structure of low-compressibility materials: (Equation presented) and hypothetical (Equation presented), Phys. Rev. B 41, 10727 (1990). PRBMDO 0163-1829 10.1103/PhysRevB.41.10727
    • (1990) Phys. Rev. B , vol.41 , pp. 10727
    • Liu, A.Y.1    Cohen, M.L.2
  • 28
    • 0029736292 scopus 로고    scopus 로고
    • Carbon nitride and other speculative superhard materials
    • C.-M. Sung and M. Sung, Carbon nitride and other speculative superhard materials, Mater. Chem. Phys. 43, 1 (1996). MCHPDR 0254-0584 10.1016/0254-0584(95)01607-V
    • (1996) Mater. Chem. Phys. , vol.43 , pp. 1
    • Sung, C.-M.1    Sung, M.2
  • 29
    • 84929008392 scopus 로고    scopus 로고
    • The phase diagram and hardness of carbon nitrides
    • H. Dong, A. R. Oganov, Q. Zhu, and G.-R. Qian, The phase diagram and hardness of carbon nitrides, Sci. Rep. 5, 9870 (2015). 2045-2322 10.1038/srep09870
    • (2015) Sci. Rep. , vol.5 , pp. 9870
    • Dong, H.1    Oganov, A.R.2    Zhu, Q.3    Qian, G.-R.4
  • 30
    • 85027942818 scopus 로고    scopus 로고
    • (Equation presented) first stable binary carbon(IV) nitride
    • E. Kroke, (Equation presented) first stable binary carbon(IV) nitride, Angew. Chem., Int. Ed. 53, 11134 (2014). 1433-7851 10.1002/anie.201406427
    • (2014) Angew. Chem., Int. Ed. , vol.53 , pp. 11134
    • Kroke, E.1
  • 32
    • 70349925695 scopus 로고    scopus 로고
    • Tetrahedrally bonded dense (Equation presented) with a defective wurtzite structure: X-ray diffraction and Raman scattering results at high pressure and ambient conditions
    • A. Salamat, K. Woodhead, P. F. McMillan, R. Q. Cabrera, A. Rahman, D. Adriaens, F. Cora, and J.-P. Perrillat, Tetrahedrally bonded dense (Equation presented) with a defective wurtzite structure: X-ray diffraction and Raman scattering results at high pressure and ambient conditions, Phys. Rev. B 80, 104106 (2009). PRBMDO 1098-0121 10.1103/PhysRevB.80.104106
    • (2009) Phys. Rev. B , vol.80 , pp. 104106
    • Salamat, A.1    Woodhead, K.2    McMillan, P.F.3    Cabrera, R.Q.4    Rahman, A.5    Adriaens, D.6    Cora, F.7    Perrillat, J.-P.8
  • 34
    • 84880098417 scopus 로고    scopus 로고
    • Identification of new pillared-layered carbon nitride materials at high pressure
    • A. Salamat, M. Deifallah, R. Q. Cabrera, F. Cora, and P. F. McMillan, Identification of new pillared-layered carbon nitride materials at high pressure, Sci. Rep. 3, 2122 (2013). 2045-2322 10.1038/srep02122
    • (2013) Sci. Rep. , vol.3 , pp. 2122
    • Salamat, A.1    Deifallah, M.2    Cabrera, R.Q.3    Cora, F.4    McMillan, P.F.5
  • 35
    • 0141426646 scopus 로고    scopus 로고
    • Computation of aromatic (Equation presented) networks and synthesis of the molecular precursor (Equation presented)
    • D. T. Vodak, K. Kim, L. Iordanidis, P. G. Rasmussen, A. J. Matzger, and O. M. Yaghi, Computation of aromatic (Equation presented) networks and synthesis of the molecular precursor (Equation presented), Chem.-Eur. J. 9, 4197 (2003). CEUJED 0947-6539 10.1002/chem.200304829
    • (2003) Chem. - Eur. J. , vol.9 , pp. 4197
    • Vodak, D.T.1    Kim, K.2    Iordanidis, L.3    Rasmussen, P.G.4    Matzger, A.J.5    Yaghi, O.M.6
  • 36
    • 84860324539 scopus 로고    scopus 로고
    • Porous, fluorescent, covalent triazine-based frameworks via room-temperature and microwave-assisted synthesis
    • S. Ren, M. J. Bojdys, R. Dawson, A. Laybourn, Y. Z. Khimyak, D. J. Adams, and A. I. Cooper, Porous, fluorescent, covalent triazine-based frameworks via room-temperature and microwave-assisted synthesis, Adv. Mater. 24, 2357 (2012). ADVMEW 0935-9648 10.1002/adma.201200751
    • (2012) Adv. Mater. , vol.24 , pp. 2357
    • Ren, S.1    Bojdys, M.J.2    Dawson, R.3    Laybourn, A.4    Khimyak, Y.Z.5    Adams, D.J.6    Cooper, A.I.7
  • 37
    • 77952966824 scopus 로고    scopus 로고
    • Rational extension of the family of layered, covalent, triazine-based frameworks with regular porosity
    • M. J. Bojdys, J. Jeromenok, A. Thomas, and M. Antonietti, Rational extension of the family of layered, covalent, triazine-based frameworks with regular porosity, Adv. Mater. 22, 2202 (2010). ADVMEW 0935-9648 10.1002/adma.200903436
    • (2010) Adv. Mater. , vol.22 , pp. 2202
    • Bojdys, M.J.1    Jeromenok, J.2    Thomas, A.3    Antonietti, M.4
  • 38
    • 84921639306 scopus 로고    scopus 로고
    • Preparation of water-dispersible porous (Equation presented) with improved photocatalytic activity by chemical oxidation
    • H.-J. Li, B.-W. Sun, L. Sui, D.-J. Qian, and M. Chen, Preparation of water-dispersible porous (Equation presented) with improved photocatalytic activity by chemical oxidation, Phys. Chem. Chem. Phys. 17, 3309 (2015). PPCPFQ 1463-9076 10.1039/C4CP05020G
    • (2015) Phys. Chem. Chem. Phys. , vol.17 , pp. 3309
    • Li, H.-J.1    Sun, B.-W.2    Sui, L.3    Qian, D.-J.4    Chen, M.5
  • 39
    • 84916631556 scopus 로고    scopus 로고
    • Modelling analysis of the structure and porosity of covalent triazine-based frameworks
    • C. Reece, D. J. Willock, and A. Trewin, Modelling analysis of the structure and porosity of covalent triazine-based frameworks, Phys. Chem. Chem. Phys. 17, 817 (2015). PPCPFQ 1463-9076 10.1039/C4CP04046E
    • (2015) Phys. Chem. Chem. Phys. , vol.17 , pp. 817
    • Reece, C.1    Willock, D.J.2    Trewin, A.3
  • 40
    • 84880756587 scopus 로고    scopus 로고
    • Structure, bonding, and mineralogy of carbon at extreme conditions
    • A. R. Oganov, R. J. Hemley, R. M. Hazen, and A. P. Jones, Structure, bonding, and mineralogy of carbon at extreme conditions, Rev. Mineral. Geochem. 75, 47 (2013). 1529-6466 10.2138/rmg.2013.75.3
    • (2013) Rev. Mineral. Geochem. , vol.75 , pp. 47
    • Oganov, A.R.1    Hemley, R.J.2    Hazen, R.M.3    Jones, A.P.4
  • 41
    • 84921513672 scopus 로고    scopus 로고
    • Design and fabrication of hierarchically porous carbon with a template-free method
    • Y. Gong, Z. Wei, J. Wang, P. Zhang, H. Li, and Y. Wang, Design and fabrication of hierarchically porous carbon with a template-free method, Sci. Rep. 4, 6349 (2014). 2045-2322 10.1038/srep06349
    • (2014) Sci. Rep. , vol.4 , pp. 6349
    • Gong, Y.1    Wei, Z.2    Wang, J.3    Zhang, P.4    Li, H.5    Wang, Y.6
  • 43
    • 84916613227 scopus 로고    scopus 로고
    • From zeolite nets to (Equation presented) carbon allotropes: A topology-based multiscale theoretical study
    • I. A. Baburin, D. M. Proserpio, V. A. Saleev, and A. V. Shipilova, From zeolite nets to (Equation presented) carbon allotropes: A topology-based multiscale theoretical study, Phys. Chem. Chem. Phys. 17, 1332 (2015). PPCPFQ 1463-9076 10.1039/C4CP04569F
    • (2015) Phys. Chem. Chem. Phys. , vol.17 , pp. 1332
    • Baburin, I.A.1    Proserpio, D.M.2    Saleev, V.A.3    Shipilova, A.V.4
  • 44
    • 0001285343 scopus 로고
    • Diamond-graphite equilibrium line from growth and graphitization of diamond
    • F. P. Bundy, H. P. Bovenkerk, H. M. Strong, and R. H. Wentorf Jr., Diamond-graphite equilibrium line from growth and graphitization of diamond, J. Chem. Phys. 35, 383 (1961). JCPSA6 0021-9606 10.1063/1.1731938
    • (1961) J. Chem. Phys. , vol.35 , pp. 383
    • Bundy, F.P.1    Bovenkerk, H.P.2    Strong, H.M.3    Wentorf, R.H.4
  • 45
    • 80052069908 scopus 로고    scopus 로고
    • Nucleation mechanism for the direct graphite-to-diamond phase transition
    • R. Z. Khaliullin, H. Eshet, T. D. Kühne, J. Behler, and M. Parrinello, Nucleation mechanism for the direct graphite-to-diamond phase transition, Nat. Mater. 10, 693 (2011). 1476-1122 10.1038/nmat3078
    • (2011) Nat. Mater. , vol.10 , pp. 693
    • Khaliullin, R.Z.1    Eshet, H.2    Kühne, T.D.3    Behler, J.4    Parrinello, M.5
  • 46
    • 84856262924 scopus 로고    scopus 로고
    • Thermodynamically Stable Phases of Carbon at Multiterapascal Pressures
    • M. Martinez-Canales, C. J. Pickard, and R. J. Needs, Thermodynamically Stable Phases of Carbon at Multiterapascal Pressures, Phys. Rev. Lett. 108, 045704 (2012). PRLTAO 0031-9007 10.1103/PhysRevLett.108.045704
    • (2012) Phys. Rev. Lett. , vol.108 , pp. 045704
    • Martinez-Canales, M.1    Pickard, C.J.2    Needs, R.J.3
  • 48
    • 84904429461 scopus 로고    scopus 로고
    • Piling up the pressure
    • C. J. Pickard and R. J. Needs, Piling up the pressure, Nature (London) 511, 294 (2014). NATUAS 0028-0836 10.1038/511294a
    • (2014) Nature (London) , vol.511 , pp. 294
    • Pickard, C.J.1    Needs, R.J.2
  • 49
    • 33746597118 scopus 로고    scopus 로고
    • High-Pressure Phases of Silane
    • C. J. Pickard and R. J. Needs, High-Pressure Phases of Silane, Phys. Rev. Lett. 97, 045504 (2006). PRLTAO 0031-9007 10.1103/PhysRevLett.97.045504
    • (2006) Phys. Rev. Lett. , vol.97 , pp. 045504
    • Pickard, C.J.1    Needs, R.J.2
  • 50
    • 79551662789 scopus 로고    scopus 로고
    • Ab initio random structure searching
    • C. J. Pickard and R. J. Needs, Ab initio random structure searching, J. Phys.: Condens. Matter 23, 053201 (2011). JCOMEL 0953-8984 10.1088/0953-8984/23/5/053201
    • (2011) J. Phys.: Condens. Matter , vol.23 , pp. 053201
    • Pickard, C.J.1    Needs, R.J.2
  • 51
    • 34547264361 scopus 로고    scopus 로고
    • Structure of phase III of solid hydrogen
    • C. J. Pickard and R. J. Needs, Structure of phase III of solid hydrogen, Nat. Phys. 3, 473 (2007). 1745-2473 10.1038/nphys625
    • (2007) Nat. Phys. , vol.3 , pp. 473
    • Pickard, C.J.1    Needs, R.J.2
  • 52
    • 84862661087 scopus 로고    scopus 로고
    • Density functional theory study of phase IV of solid hydrogen
    • C. J. Pickard, M. Martinez-Canales, and R. J. Needs, Density functional theory study of phase IV of solid hydrogen, Phys. Rev. B 85, 214114 (2012); PRBMDO 1098-0121 10.1103/PhysRevB.85.214114
    • (2012) Phys. Rev. B , vol.85 , pp. 214114
    • Pickard, C.J.1    Martinez-Canales, M.2    Needs, R.J.3
  • 57
    • 35648931044 scopus 로고    scopus 로고
    • Metallization of aluminum hydride at high pressures: A first-principles study
    • C. J. Pickard and R. J. Needs, Metallization of aluminum hydride at high pressures: A first-principles study, Phys. Rev. B 76, 144114 (2007). PRBMDO 1098-0121 10.1103/PhysRevB.76.144114
    • (2007) Phys. Rev. B , vol.76 , pp. 144114
    • Pickard, C.J.1    Needs, R.J.2
  • 59
    • 0037877706 scopus 로고
    • The principles determining the structure of complex ionic crystals
    • L. Pauling, The principles determining the structure of complex ionic crystals, J. Am. Chem. Soc. 51, 1010 (1929). JACSAT 0002-7863 10.1021/ja01379a006
    • (1929) J. Am. Chem. Soc. , vol.51 , pp. 1010
    • Pauling, L.1
  • 61
    • 20544463457 scopus 로고
    • Soft self-consistent pseudopotentials in a generalized eigenvalue formalism
    • D. Vanderbilt, Soft self-consistent pseudopotentials in a generalized eigenvalue formalism, Phys. Rev. B 41, 7892 (1990). PRBMDO 0163-1829 10.1103/PhysRevB.41.7892
    • (1990) Phys. Rev. B , vol.41 , pp. 7892
    • Vanderbilt, D.1
  • 62
    • 4243943295 scopus 로고    scopus 로고
    • Generalized Gradient Approximation Made Simple
    • J. P. Perdew, K. Burke, and M. Ernzerhof, Generalized Gradient Approximation Made Simple, Phys. Rev. Lett. 77, 3865 (1996) PRLTAO 0031-9007; 10.1103/PhysRevLett.77.3865
    • (1996) Phys. Rev. Lett. , vol.77 , pp. 3865
    • Perdew, J.P.1    Burke, K.2    Ernzerhof, M.3
  • 64
    • 84990882684 scopus 로고    scopus 로고
    • See Supplemental Material at for additional information about the (Equation presented) structures
    • See Supplemental Material at http://link.aps.org/supplemental/10.1103/PhysRevB.94.094104 for additional information about the (Equation presented) structures.
  • 65
    • 0042113153 scopus 로고
    • Self-consistent equations including exchange and correlation effects
    • W. Kohn and L. J. Sham, Self-consistent equations including exchange and correlation effects, Phys. Rev. 140, A1133 (1965). PHRVAO 0031-899X 10.1103/PhysRev.140.A1133
    • (1965) Phys. Rev. , vol.140 , pp. A1133
    • Kohn, W.1    Sham, L.J.2
  • 66
    • 33745208986 scopus 로고    scopus 로고
    • More accurate generalized gradient approximation for solids
    • Z. Wu and R. E. Cohen, More accurate generalized gradient approximation for solids, Phys. Rev. B 73, 235116 (2006). PRBMDO 1098-0121 10.1103/PhysRevB.73.235116
    • (2006) Phys. Rev. B , vol.73 , pp. 235116
    • Wu, Z.1    Cohen, R.E.2
  • 69
    • 33750559983 scopus 로고    scopus 로고
    • Semiempirical GGA-type density functional constructed with a long-range dispersion correction
    • S. Grimme, Semiempirical GGA-type density functional constructed with a long-range dispersion correction, J. Comput. Chem. 27, 1787 (2006). JCCHDD 0192-8651 10.1002/jcc.20495
    • (2006) J. Comput. Chem. , vol.27 , pp. 1787
    • Grimme, S.1
  • 70
    • 65549171485 scopus 로고    scopus 로고
    • Corrugated layered heptazine-based carbon nitride: The lowest energy modifications of (Equation presented) ground state
    • J. Gracia and P. Kroll, Corrugated layered heptazine-based carbon nitride: the lowest energy modifications of (Equation presented) ground state, J. Mater. Chem. 19, 3013 (2009). JMACEP 0959-9428 10.1039/b821568e
    • (2009) J. Mater. Chem. , vol.19 , pp. 3013
    • Gracia, J.1    Kroll, P.2
  • 71
    • 0003142089 scopus 로고
    • Is carbon nitride harder than diamond? No, but its girth increases when stretched (negative Poisson ratio)
    • Y. Guo and W. A. Goddard III, Is carbon nitride harder than diamond? No, but its girth increases when stretched (negative Poisson ratio), Chem. Phys. Lett. 237, 72 (1995). CHPLBC 0009-2614 10.1016/0009-2614(95)00267-8
    • (1995) Chem. Phys. Lett. , vol.237 , pp. 72
    • Guo, Y.1    Goddard, W.A.2
  • 72
    • 84891610581 scopus 로고    scopus 로고
    • Strategies for in situ laser heating in the diamond anvil cell at an x-ray diffraction beamline
    • S. Petitgirard, A. Salamat, P. Beck, G. Weck, and P. Bouvier, Strategies for in situ laser heating in the diamond anvil cell at an x-ray diffraction beamline, J. Synchrotron Radiat. 21, 89 (2014). 1600-5775 10.1107/S1600577513027434
    • (2014) J. Synchrotron Radiat. , vol.21 , pp. 89
    • Petitgirard, S.1    Salamat, A.2    Beck, P.3    Weck, G.4    Bouvier, P.5


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.