Determination of Interaction Strength of Single Walled Carbon Nanotube (4,3) and (3,3) on Carbon Monoxide by Density Functional Theory

Determination of Interaction Strength of Single Walled Carbon Nanotube (4,3) and (3,3) on Carbon Monoxide by Density Functional Theory

Since the discovery of carbon nanotube by Ijima in 1993. Single walled carbon nanotube (SWCNT) have received significant progress. All these progress are closely related to their unique mechanical and electronic properties. Based on previous research, some groups studied the applications of carbon n...

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Main Author: SUHANDANA (NIM 10502062), DADAN
Format: Final Project
Language:Indonesia
Online Access:https://digilib.itb.ac.id/gdl/view/11955
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Institution: Institut Teknologi Bandung
Language: Indonesia
id id-itb.:11955
spelling id-itb.:119552017-09-27T11:42:34ZDetermination of Interaction Strength of Single Walled Carbon Nanotube (4,3) and (3,3) on Carbon Monoxide by Density Functional Theory SUHANDANA (NIM 10502062), DADAN Indonesia Final Project INSTITUT TEKNOLOGI BANDUNG https://digilib.itb.ac.id/gdl/view/11955 Since the discovery of carbon nanotube by Ijima in 1993. Single walled carbon nanotube (SWCNT) have received significant progress. All these progress are closely related to their unique mechanical and electronic properties. Based on previous research, some groups studied the applications of carbon nanotubes as support for catalyst in methanol decomposition. This research focused on iteraction energy between SWCNT (4,3) -CO and SWCNT (3,3) – CO, it was investigated using B3LYP density functional theory level (DFT) with basis set of 6-31G. From the calculations, Interaction Energy of SWCNT (3,3) lower than SWCNT (4,3) on CO and gap HOMO-LUMO between SWCNT (4,3) lower than SWCNT (3,3). text
institution Institut Teknologi Bandung
building Institut Teknologi Bandung Library
continent Asia
country Indonesia
Indonesia
content_provider Institut Teknologi Bandung
collection Digital ITB
language Indonesia
description Since the discovery of carbon nanotube by Ijima in 1993. Single walled carbon nanotube (SWCNT) have received significant progress. All these progress are closely related to their unique mechanical and electronic properties. Based on previous research, some groups studied the applications of carbon nanotubes as support for catalyst in methanol decomposition. This research focused on iteraction energy between SWCNT (4,3) -CO and SWCNT (3,3) – CO, it was investigated using B3LYP density functional theory level (DFT) with basis set of 6-31G. From the calculations, Interaction Energy of SWCNT (3,3) lower than SWCNT (4,3) on CO and gap HOMO-LUMO between SWCNT (4,3) lower than SWCNT (3,3).
format Final Project
author SUHANDANA (NIM 10502062), DADAN
spellingShingle SUHANDANA (NIM 10502062), DADAN
Determination of Interaction Strength of Single Walled Carbon Nanotube (4,3) and (3,3) on Carbon Monoxide by Density Functional Theory
author_facet SUHANDANA (NIM 10502062), DADAN
author_sort SUHANDANA (NIM 10502062), DADAN
title Determination of Interaction Strength of Single Walled Carbon Nanotube (4,3) and (3,3) on Carbon Monoxide by Density Functional Theory
title_short Determination of Interaction Strength of Single Walled Carbon Nanotube (4,3) and (3,3) on Carbon Monoxide by Density Functional Theory
title_full Determination of Interaction Strength of Single Walled Carbon Nanotube (4,3) and (3,3) on Carbon Monoxide by Density Functional Theory
title_fullStr Determination of Interaction Strength of Single Walled Carbon Nanotube (4,3) and (3,3) on Carbon Monoxide by Density Functional Theory
title_full_unstemmed Determination of Interaction Strength of Single Walled Carbon Nanotube (4,3) and (3,3) on Carbon Monoxide by Density Functional Theory
title_sort determination of interaction strength of single walled carbon nanotube (4,3) and (3,3) on carbon monoxide by density functional theory
url https://digilib.itb.ac.id/gdl/view/11955
_version_ 1822016759198121984

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