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González-González, R., Salas-Zepeda, M. G., Tlahuice-Flores, A. (2019) New two-dimensional carbon nitride allotrope with 1 : 1 stoichiometry featuring spine-like structures: a structural and electronic DFT-D study. Physical Chemistry Chemical Physics, 21 (28). 15282-15285 doi:10.1039/c9cp02846c

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Reference TypeJournal (article/letter/editorial)
TitleNew two-dimensional carbon nitride allotrope with 1 : 1 stoichiometry featuring spine-like structures: a structural and electronic DFT-D study
JournalPhysical Chemistry Chemical Physics
AuthorsGonzález-González, R.Author
Salas-Zepeda, M. G.Author
Tlahuice-Flores, A.Author
Year2019Volume21
Issue28
PublisherRoyal Society of Chemistry (RSC)
DOIdoi:10.1039/c9cp02846cSearch in ResearchGate
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Mindat Ref. ID4037178Long-form Identifiermindat:1:5:4037178:6
GUID0
Full ReferenceGonzález-González, R., Salas-Zepeda, M. G., Tlahuice-Flores, A. (2019) New two-dimensional carbon nitride allotrope with 1 : 1 stoichiometry featuring spine-like structures: a structural and electronic DFT-D study. Physical Chemistry Chemical Physics, 21 (28). 15282-15285 doi:10.1039/c9cp02846c
Plain TextGonzález-González, R., Salas-Zepeda, M. G., Tlahuice-Flores, A. (2019) New two-dimensional carbon nitride allotrope with 1 : 1 stoichiometry featuring spine-like structures: a structural and electronic DFT-D study. Physical Chemistry Chemical Physics, 21 (28). 15282-15285 doi:10.1039/c9cp02846c
In(2019) Physical Chemistry Chemical Physics Vol. 21 (28) Royal Society of Chemistry (RSC)

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Salas‐Zepeda, M. G., Tlahuice‐Flores, Alfredo (2023) Splitting of pollutant NO molecules inside Sc20C48X12 (X = C, N, P) structures: A DFT‐D study. Journal of Raman Spectroscopy, 54 (12) 1392-1398 doi:10.1002/jrs.6599
Quijano-Briones, J. J., Fernández-Escamilla, H. N., Tlahuice-Flores, A. (2016) Doped penta-graphene and hydrogenation of its related structures: a structural and electronic DFT-D study. Physical Chemistry Chemical Physics, 18 (23). 15505-15509 doi:10.1039/c6cp02781d
Wing-Bocanegra, A., Tlahuice-Flores, A. (2019) Effect of the charge state on bare monoicosahedral [Au13]z+ and diphosphine-protected Au13 clusters [Au13(dmpe)5Cl2]z+: structural, electronic and vibrational DFT studies. Physical Chemistry Chemical Physics, 21 (43). 23855-23864 doi:10.1039/c9cp04827h
Bhattacharya, Debaprem, Jana, Debnarayan (2019) First-principles calculation of the electronic and optical properties of a new two-dimensional carbon allotrope: tetra-penta-octagonal graphene. Physical Chemistry Chemical Physics, 21 (44). 24758-24767 doi:10.1039/c9cp04863d
Salas‐Zepeda, M.G., Tlahuice‐Flores, Alfredo (2019) Effect of heteroatom doping on the hydrogenation of volleyballene. Journal of Raman Spectroscopy, 50 (10). 1519-1526 doi:10.1002/jrs.5676
Tlahuice-Flores, A. (2015) New insight into the structure of thiolated gold clusters: a structural prediction of the Au187(SR)68 cluster. Physical Chemistry Chemical Physics, 17 (8). 5551-5555 doi:10.1039/c4cp05695g
Sánchez-González, A., Dobado, J. A., Torneiro, M. (2016) A computational study of bulk porous two-dimensional polymers related to graphyne. Physical Chemistry Chemical Physics, 18 (31). 21305-21314 doi:10.1039/c6cp02511k
Kim, Bog G., Jo, Jun Young, Sim, H. S. (2013) Comment on “Structural and Electronic Properties ofTGraphene: A Two-Dimensional Carbon Allotrope with Tetrarings”. Physical Review Letters, 110 (2). doi:10.1103/physrevlett.110.029601
Tlahuice-Flores, A. (2018) Hydrogen storage on volleyballene. Physical Chemistry Chemical Physics, 20 (33). 21251-21256 doi:10.1039/c8cp01987h
Mandal, Bikash, Sarkar, Sunandan, Pramanik, Anup, Sarkar, Pranab (2013) Theoretical prediction of a new two-dimensional carbon allotrope and NDR behaviour of its one-dimensional derivatives. Physical Chemistry Chemical Physics, 15 (48). 21001pp. doi:10.1039/c3cp53390e
Fernández-Escamilla, H. N., Quijano-Briones, J. J., Tlahuice-Flores, A. (2016) Chiral phosphorus nanotubes: structure, bonding, and electronic properties. Physical Chemistry Chemical Physics, 18 (18). 12414-12418 doi:10.1039/c6cp01869f
 
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