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Effect of Cobalt Metal Insertion on Zinc Oxide Nanotube Structure for Hydrogen Gas Sensor Using Density Functional Theory Method

Indonesian Journal of Chemical Science · Vol. 10 No. 2 (2021) · hlm. 108–117

DOI
10.15294/ijcs.v10i2.49534
ISSN
2502-6844, 2252-6951
Terbit
2021-09-03
Penerbit
Universitas Negeri Semarang
Bahasa
eng

Abstrak

Hydrogen gas as a renewable energy has limitations, namely flammable, explosive, colorless, and odorless, making it difficult to detect its presence at normal temperature and pressure. Efforts to determine the presence of hydrogen gas need a gas sensor. This study aims to determine the effect of the insertion of Co metal on Zinc Oxide nanotubes (ZnONT) on changes in adsorption energy and sensor sensitivity on H2 gas with parallel and perpendicular positions. Geometry optimization was carried out using the DMol3 module in Material Studio, the parameters of this research were using Density Functional Theory method, GGA correlation exchange PBE function, and DNP basis set. The results of the calculation of the hydrogen gas adsorption energy from the structures ZnONT.H2 perpendicular, ZnONT.H2 parallel, ZnONT.Co.H2 perpendicular and ZnONT.Co.H2 parallel, respectively, are -23.121205 kJoule/mol; -23.541810 kJoule/mol; -252.783422 kJoule/mol; and -254.599480 kJoule/mol. The calculation of the sensitivity of the hydrogen gas sensor response from the structures ZnONT.H2 perpendicular, ZnONT.H2 parallel, ZnONT.Co.H2 perpendicular and ZnONT.Co.H2 parallel were 1.374; 1,527; 1654,827; and 375,857. Based on the results of the study, it was found that the insertion of Co metal was able to increase the adsorption energy and sensitivity of the hydrogen gas sensor.

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  • State University of Semarang
  • Universiti Teknologi MARA
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Rekan penulisOrganisasiArtikel bersama
Endang SusilaningsihState University of Semarang6
Agung Tri PrasetyaState University of Semarang6
Sri HaryaniState University of Semarang4
Harjono HarjonoAfiliasi tidak diketahui3
Kasmadi Imam SupardiState University of Semarang3
Subiyanto HadisaputroAfiliasi tidak diketahui3
Nanik WijayatiState University of Semarang2
Sudarmin SudarminState University of Semarang2
Sri Susilogati SumartiState University of Semarang2
Nuni WidiartiState University of Semarang2
Cepi KurniawanState University of Semarang1
M. DhiyaulkhaqState University of Semarang1
D. NasekhahAfiliasi tidak diketahui1
M. H. IsmailUniversiti Teknologi MARA1
Novi Ratna DewiState University of Semarang1
Mahfud SyahroniAfiliasi tidak diketahui1
Siti Herlina DewiState University of Semarang1
Eko Budi SusatyaAfiliasi tidak diketahui1
Norma EralitaAfiliasi tidak diketahui1
Rr. S.E PujiastutiAfiliasi tidak diketahui1
Yosephine Debbie DamayantiAfiliasi tidak diketahui1
Willy Tirza EdenAfiliasi tidak diketahui1
M. Kholid Baror AbadiAfiliasi tidak diketahui1
Zalfa Dwirakhma SaharaniState University of Semarang1
Istijabah MufsirohAfiliasi tidak diketahui1
Olin Amin SuryanaAfiliasi tidak diketahui1
Saptorini SaptoriniState University of Semarang1
Nur'aini MuharomahAfiliasi tidak diketahui1
Ersanghono KusumaAfiliasi tidak diketahui1
Muhammad FadloliAfiliasi tidak diketahui1
Sigit PriatmokoState University of Semarang1
Nurkintan ApriliaAfiliasi tidak diketahui1
Lies LestariningtiasAfiliasi tidak diketahui1
Nanda Ayu LestariAfiliasi tidak diketahui1
Riska SetiyoningtyasAfiliasi tidak diketahui1
Harris AfriantonoAfiliasi tidak diketahui1
Ita MawaddahAfiliasi tidak diketahui1
Zerlinda FebrianaAfiliasi tidak diketahui1

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Sumber metadata: OAI-PMH (metadata jurnal) https://journal.unnes.ac.id/sju/index.php/ijcs/oai, pertama di-harvest 5 Nov 2026, terakhir terlihat 8 Nov 2026.
Metadata asli (oai_dc) 
<oai_dc:dc xmlns="http://www.openarchives.org/OAI/2.0/" xmlns:dc="http://purl.org/dc/elements/1.1/" xmlns:oai_dc="http://www.openarchives.org/OAI/2.0/oai_dc/" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:schemaLocation="http://www.openarchives.org/OAI/2.0/oai_dc/  http://www.openarchives.org/OAI/2.0/oai_dc.xsd">
	<dc:title xml:lang="en-US">Effect of Cobalt Metal Insertion on Zinc Oxide Nanotube Structure for Hydrogen Gas Sensor Using Density Functional Theory Method</dc:title>
	<dc:creator>Ariyanti, Widia</dc:creator>
	<dc:creator>Kasmui, Kasmui</dc:creator>
	<dc:description xml:lang="en-US">Hydrogen gas as a renewable energy has limitations, namely flammable, explosive, colorless, and odorless, making it difficult to detect its presence at normal temperature and pressure. Efforts to determine the presence of hydrogen gas need a gas sensor. This study aims to determine the effect of the insertion of Co metal on Zinc Oxide nanotubes (ZnONT) on changes in adsorption energy and sensor sensitivity on H2 gas with parallel and perpendicular positions. Geometry optimization was carried out using the DMol3 module in Material Studio, the parameters of this research were using Density Functional Theory method, GGA correlation exchange PBE function, and DNP basis set. The results of the calculation of the hydrogen gas adsorption energy from the structures ZnONT.H2 perpendicular, ZnONT.H2 parallel, ZnONT.Co.H2 perpendicular and ZnONT.Co.H2 parallel, respectively, are -23.121205 kJoule/mol; -23.541810 kJoule/mol; -252.783422 kJoule/mol; and -254.599480 kJoule/mol. The calculation of the sensitivity of the hydrogen gas sensor response from the structures ZnONT.H2 perpendicular, ZnONT.H2 parallel, ZnONT.Co.H2 perpendicular and ZnONT.Co.H2 parallel were 1.374; 1,527; 1654,827; and 375,857. Based on the results of the study, it was found that the insertion of Co metal was able to increase the adsorption energy and sensitivity of the hydrogen gas sensor.</dc:description>
	<dc:publisher xml:lang="en-US">Universitas Negeri Semarang</dc:publisher>
	<dc:date>2021-09-03</dc:date>
	<dc:type>info:eu-repo/semantics/article</dc:type>
	<dc:type>info:eu-repo/semantics/publishedVersion</dc:type>
	<dc:type xml:lang="en-US">Peer-reviewed Article</dc:type>
	<dc:format>application/pdf</dc:format>
	<dc:identifier>https://journal.unnes.ac.id/sju/ijcs/article/view/49534</dc:identifier>
	<dc:identifier>10.15294/ijcs.v10i2.49534</dc:identifier>
	<dc:source xml:lang="en-US">Indonesian Journal of Chemical Science; Vol 10 No 2 (2021); 108-117</dc:source>
	<dc:source>2502-6844</dc:source>
	<dc:source>2252-6951</dc:source>
	<dc:source>10.15294/ijcs.v10i2</dc:source>
	<dc:language>eng</dc:language>
	<dc:relation>https://journal.unnes.ac.id/sju/ijcs/article/view/49534/19898</dc:relation>
	<dc:rights xml:lang="en-US">Copyright (c) 2021 Indonesian Journal of Chemical Science</dc:rights>
</oai_dc:dc>