Computational Study of Allotropic Structures of Carbon by Density Functional Theory (DTF)

Autor: Juan Manuel Gonzalez Carmona, Carolina Ortega Portilla, Christian Barbosa, Alexander Ruden Muñoz, Federico Sequeda Osorio

Publikováno v: Ingeniería y Ciencia, Vol 10, Iss 19 (2014)

In this paper using Density Functional Theory (DFT), the principal carbon allotropic crystalline structures (Diamond, graphite, nanotube y fullerene - C60) were simulated. The results shows diamond sp3 bonds formation between carbon atoms and low rea

Externí odkaz: https://doaj.org/article/fcfb6ab78a8f4aa69e1713c21ad9bf28

Computational Study of Allotropic Structures of Carbon by Density Functional Theory (DTF)

Autor: Alexander Ruden, Federico Sequeda, Juan Manuel Gonzalez, C. Barbosa, C. Ortega

Publikováno v: Ingeniería y Ciencia, Vol 10, Iss 19 (2014)
Ingeniería y Ciencia; Vol 10, No 19 (2014)
Repositorio EAFIT
Universidad EAFIT
instacron:Universidad EAFIT

In this paper using Density Functional Theory (DFT), the principal carbon allotropic crystalline structures (Diamond, graphite, nanotube y fullerene - C60) were simulated. The results shows diamond sp3 bonds formation between carbon atoms and low rea

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::82638bd6947862e880d2eadc107f498b
http://publicaciones.eafit.edu.co/index.php/ingciencia/article/view/1928

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Recent Advances in Surface Modifications of Elemental Two-Dimensional Materials: Structures, Properties, and Applications.

Autor: Chen J; Key Laboratory of Quantum Matt Science, Henan Key Laboratory of Photovoltaic Materials, Henan University, Zhengzhou 450046, China., Wang C; Key Laboratory of Quantum Matt Science, Henan Key Laboratory of Photovoltaic Materials, Henan University, Zhengzhou 450046, China., Li H; School of Physical Science and Technology, Wuhan University, Wuhan 430072, China.; Key Laboratory of Artificial Micro- and Nano-Structures of Ministry of Education, Wuhan University, Wuhan 430072, China., Xu X; State Key Lab of Optoelectronic Materials and Technologies, Guangdong Province Key Laboratory of Display Material and Technology, School of Electronics and Information Technology, Sun Yat-sen University, Guangzhou 510275, China., Yang J; School of Physical Science and Technology, Wuhan University, Wuhan 430072, China.; Key Laboratory of Artificial Micro- and Nano-Structures of Ministry of Education, Wuhan University, Wuhan 430072, China., Huo Z; Key Laboratory of Quantum Matt Science, Henan Key Laboratory of Photovoltaic Materials, Henan University, Zhengzhou 450046, China., Wang L; Key Laboratory of Quantum Matt Science, Henan Key Laboratory of Photovoltaic Materials, Henan University, Zhengzhou 450046, China., Zhang W; Key Laboratory of Quantum Matt Science, Henan Key Laboratory of Photovoltaic Materials, Henan University, Zhengzhou 450046, China., Xiao X; School of Physical Science and Technology, Wuhan University, Wuhan 430072, China.; Key Laboratory of Artificial Micro- and Nano-Structures of Ministry of Education, Wuhan University, Wuhan 430072, China., Ma Y; Key Laboratory of Quantum Matt Science, Henan Key Laboratory of Photovoltaic Materials, Henan University, Zhengzhou 450046, China.

Publikováno v: Molecules (Basel, Switzerland) [Molecules] 2022 Dec 26; Vol. 28 (1). Date of Electronic Publication: 2022 Dec 26.