-
1
-
-
2342536975
-
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
-
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
-
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
-
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
-
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
-
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
-
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
-
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
-
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
-
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
-
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
-
12
-
-
84876586506
-
Tuning of gallery heights in a crystalline 2D carbon nitride network
-
S. Y. Chong, J. T. A. Jones, Y. Z. Khimyak, A. I. Cooper, A. Thomas, M. Antonietti, and M. J. Bojdys, Tuning of gallery heights in a crystalline 2D carbon nitride network, J. Mater. Chem. A 1, 1102 (2013). 2050-7488 10.1039/C2TA01068B
-
(2013)
J. Mater. Chem. A
, vol.1
, pp. 1102
-
-
Chong, S.Y.1
Jones, J.T.A.2
Khimyak, Y.Z.3
Cooper, A.I.4
Thomas, A.5
Antonietti, M.6
Bojdys, M.J.7
-
13
-
-
0034808010
-
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
-
14
-
-
84975692345
-
Triazine-based graphitic carbon nitride: A two-dimensional semiconductor
-
G. Algara-Siller, N. Severin, S. Y. Chong, T. Björkman, R. G. Palgrave, A. Laybourn, M. Antonietti, Y. Z. Khimyak, A. V. Krasheninnikov, J. P. Rabe, U. Kaiser, A. I. Cooper, A. Thomas, and M. J. Bojdys, Triazine-based graphitic carbon nitride: A two-dimensional semiconductor, Angew. Chem., Int. Ed. 53, 7450 (2014). 1433-7851 10.1002/anie.201402191
-
(2014)
Angew. Chem., Int. Ed.
, vol.53
, pp. 7450
-
-
Algara-Siller, G.1
Severin, N.2
Chong, S.Y.3
Björkman, T.4
Palgrave, R.G.5
Laybourn, A.6
Antonietti, M.7
Khimyak, Y.Z.8
Krasheninnikov, A.V.9
Rabe, J.P.10
Kaiser, U.11
Cooper, A.I.12
Thomas, A.13
Bojdys, M.J.14
-
15
-
-
0000286107
-
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
-
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
-
17
-
-
33751155377
-
Novel synthetic routes to carbon nitride
-
M. Todd, J. Kouvetakis, T. L. Groy, D. Chandrasekhar, D. J. Smith, and P. W. Deal, Novel synthetic routes to carbon nitride, Chem. Mater. 7, 1422 (1995). CMATEX 0897-4756 10.1021/cm00055a023
-
(1995)
Chem. Mater.
, vol.7
, pp. 1422
-
-
Todd, M.1
Kouvetakis, J.2
Groy, T.L.3
Chandrasekhar, D.4
Smith, D.J.5
Deal, P.W.6
-
18
-
-
33751158752
-
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
-
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
-
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
-
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
-
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
-
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
-
24
-
-
84949116572
-
Structural band-gap tuning in (Equation presented)
-
S. Zuluaga, L. H. Liu, N. Shafiq, S. M. Rupich, J.-F. Veyan, Y. J. Chabal, and T. Thonhauser, Structural band-gap tuning in (Equation presented), Phys. Chem. Chem. Phys. 17, 957 (2015). PPCPFQ 1463-9076 10.1039/C4CP05164E
-
(2015)
Phys. Chem. Chem. Phys.
, vol.17
, pp. 957
-
-
Zuluaga, S.1
Liu, L.H.2
Shafiq, N.3
Rupich, S.M.4
Veyan, J.-F.5
Chabal, Y.J.6
Thonhauser, T.7
-
25
-
-
0000092194
-
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
-
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
-
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
-
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
-
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
-
(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
-
31
-
-
34250711881
-
High-pressure synthesis of crystalline carbon nitride imide, (Equation presented)(NH)
-
E. Horvath-Bordon, R. Riedel, P. F. McMillan, P. Kroll, G. Miehe, P. A. van Aken, A. Zerr, P. Hoppe, O. Shebanova, I. McLaren, S. Lauterbach, E. Kroke, and R. Boehler, High-pressure synthesis of crystalline carbon nitride imide, (Equation presented)(NH), Angew. Chem., Int. Ed. 46, 1476 (2007). 1433-7851 10.1002/anie.200603851
-
(2007)
Angew. Chem., Int. Ed.
, vol.46
, pp. 1476
-
-
Horvath-Bordon, E.1
Riedel, R.2
McMillan, P.F.3
Kroll, P.4
Miehe, G.5
Van Aken, P.A.6
Zerr, A.7
Hoppe, P.8
Shebanova, O.9
McLaren, I.10
Lauterbach, S.11
Kroke, E.12
Boehler, R.13
-
32
-
-
70349925695
-
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
-
33
-
-
84990945913
-
-
Synthesis of Ultra-Incompressible (Equation presented) Carbon Nitride, arXiv:1412.3755
-
E. Stavrou, S. Lobanov, H. Dong, A. R. Oganov, V. B. Prakapenka, Z. Konopkova, and A. F. Goncharov, Synthesis of Ultra-Incompressible (Equation presented) Carbon Nitride, arXiv:1412.3755.
-
-
-
Stavrou, E.1
Lobanov, S.2
Dong, H.3
Oganov, A.R.4
Prakapenka, V.B.5
Konopkova, Z.6
Goncharov, A.F.7
-
34
-
-
84880098417
-
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
-
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
-
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
-
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
-
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
-
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
-
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
-
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
-
42
-
-
84919455862
-
Carbon-based nanoscience
-
M. Lazzeri and A. Barreiro, Carbon-based nanoscience, Elements (Chantilly, VA, U. S.) 10, 447 (2014). 1811-5209 10.2113/gselements.10.6.447
-
(2014)
Elements (Chantilly, VA, U. S.)
, vol.10
, pp. 447
-
-
Lazzeri, M.1
Barreiro, A.2
-
43
-
-
84916613227
-
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
-
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
-
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
-
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
-
47
-
-
84904438512
-
Ramp compression of diamond to five terapascals
-
R. F. Smith, J. H. Eggert, R. Jeanloz, T. S. Duffy, D. G. Braun, J. R. Patterson, R. E. Rudd, J. Biener, A. E. Lazicki, A. V. Hamza, J. Wang, T. Braun, L. X. Benedict, P. M. Celliers, and G. W. Collins, Ramp compression of diamond to five terapascals, Nature (London) 511, 330 (2014). NATUAS 0028-0836 10.1038/nature13526
-
(2014)
Nature (London)
, vol.511
, pp. 330
-
-
Smith, R.F.1
Eggert, J.H.2
Jeanloz, R.3
Duffy, T.S.4
Braun, D.G.5
Patterson, J.R.6
Rudd, R.E.7
Biener, J.8
Lazicki, A.E.9
Hamza, A.V.10
Wang, J.11
Braun, T.12
Benedict, L.X.13
Celliers, P.M.14
Collins, G.W.15
-
48
-
-
84904429461
-
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
-
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
-
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
-
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
-
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
-
54
-
-
84900503178
-
Experimental and theoretical evidence for an ionic crystal of ammonia at high pressure
-
S. Ninet, F. Datchi, P. Dumas, M. Mezouar, G. Garbarino, A. Mafety, C. J. Pickard, R. J. Needs, and A. M. Saitta, Experimental and theoretical evidence for an ionic crystal of ammonia at high pressure, Phys. Rev. B 89, 174103 (2014). PRBMDO 1098-0121 10.1103/PhysRevB.89.174103
-
(2014)
Phys. Rev. B
, vol.89
, pp. 174103
-
-
Ninet, S.1
Datchi, F.2
Dumas, P.3
Mezouar, M.4
Garbarino, G.5
Mafety, A.6
Pickard, C.J.7
Needs, R.J.8
Saitta, A.M.9
-
55
-
-
70349384955
-
Crystal structure of ammonia monohydrate II
-
A. D. Fortes, E. Suard, M.-H. Lemee-Cailleau, C. J. Pickard, and R. J. Needs, Crystal structure of ammonia monohydrate II, J. Am. Chem. Soc. 131, 13508 (2009). JACSAT 0002-7863 10.1021/ja9052569
-
(2009)
J. Am. Chem. Soc.
, vol.131
, pp. 13508
-
-
Fortes, A.D.1
Suard, E.2
Lemee-Cailleau, M.-H.3
Pickard, C.J.4
Needs, R.J.5
-
56
-
-
84862900751
-
Crystal structure of ammonia dihydrate II
-
G. I. G. Griffiths, A. D. Fortes, C. J. Pickard, and R. J. Needs, Crystal structure of ammonia dihydrate II, J. Chem. Phys. 136, 174512 (2012). JCPSA6 0021-9606 10.1063/1.4707930
-
(2012)
J. Chem. Phys.
, vol.136
, pp. 174512
-
-
Griffiths, G.I.G.1
Fortes, A.D.2
Pickard, C.J.3
Needs, R.J.4
-
57
-
-
35648931044
-
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
-
58
-
-
84979210911
-
Synthesis and stability of xenon oxides (Equation presented) and (Equation presented) under pressure
-
A. Dewaele, N. G. Worth, C. J. Pickard, R. J. Needs, S. Pascarelli, O. Mathon, M. Mezouar, and T. Irifune, Synthesis and stability of xenon oxides (Equation presented) and (Equation presented) under pressure, Nat. Chem. 8, 784 (2016). 10.1038/nchem.2528
-
(2016)
Nat. Chem.
, vol.8
, pp. 784
-
-
Dewaele, A.1
Worth, N.G.2
Pickard, C.J.3
Needs, R.J.4
Pascarelli, S.5
Mathon, O.6
Mezouar, M.7
Irifune, T.8
-
59
-
-
0037877706
-
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
-
60
-
-
20144380685
-
First principles methods using castep
-
S. J. Clark, M. D. Segall, C. J. Pickard, P. J. Hasnip, M. I. J. Probert, K. Refson, and M. C. Payne, First principles methods using castep, Z. Kristallogr. 220, 567 (2005). 10.1524/zkri.220.5.567.65075
-
(2005)
Z. Kristallogr.
, vol.220
, pp. 567
-
-
Clark, S.J.1
Segall, M.D.2
Pickard, C.J.3
Hasnip, P.J.4
Probert, M.I.J.5
Refson, K.6
Payne, M.C.7
-
61
-
-
20544463457
-
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
-
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
-
-
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
-
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
-
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
-
67
-
-
41849095114
-
Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces
-
J. P. Perdew, A. Ruzsinszky, G. I. Csonka, O. A. Vydrov, G. E. Scuseria, L. A. Constantin, X. Zhou, and K. Burke, Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces, Phys. Rev. Lett. 100, 136406 (2008); PRLTAO 0031-9007 10.1103/PhysRevLett.100.136406
-
(2008)
Phys. Rev. Lett.
, vol.100
, pp. 136406
-
-
Perdew, J.P.1
Ruzsinszky, A.2
Csonka, G.I.3
Vydrov, O.A.4
Scuseria, G.E.5
Constantin, L.A.6
Zhou, X.7
Burke, K.8
-
68
-
-
59949095600
-
-
(E)
-
J. P. Perdew, A. Ruzsinszky, G. I. Csonka, O. A. Vydrov, G. E. Scuseria, L. A. Constantin, X. Zhou, and K. Burke, Phys. Rev. Lett. 102, 039902 (E) (2009). PRLTAO 0031-9007 10.1103/PhysRevLett.102.039902
-
(2009)
Phys. Rev. Lett.
, vol.102
, pp. 039902
-
-
Perdew, J.P.1
Ruzsinszky, A.2
Csonka, G.I.3
Vydrov, O.A.4
Scuseria, G.E.5
Constantin, L.A.6
Zhou, X.7
Burke, K.8
-
69
-
-
33750559983
-
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
-
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
-
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
-
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
|