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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) · pp. 108–117

DOI
10.15294/ijcs.v10i2.49534
ISSN
2502-6844, 2252-6951
Published
2021-09-03
Publisher
Universitas Negeri Semarang
Language
eng

Abstract

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.

Collaboration network of the authors

40 authors · 138 co-authorship links · 4 across different organisations · showing the 40 most connected

Hover or tap a name to highlight its co-authors. Double-click to open the author's page.

  • State University of Semarang
  • Universiti Teknologi MARA
  • Affiliation unknown
  • Different organisations
  • Same organisation
  • Affiliation unknown
  • Thicker line = more joint articles · bigger circle = more articles
Show as table
Co-authorOrganisationJoint articles
Agung Tri PrasetyaState University of Semarang6
Endang SusilaningsihState University of Semarang5
Sri HaryaniAffiliation unknown4
Harjono HarjonoAffiliation unknown3
Kasmadi Imam SupardiState University of Semarang3
Subiyanto HadisaputroAffiliation unknown3
Nanik WijayatiState University of Semarang2
Sudarmin SudarminAffiliation unknown2
Sri Susilogati SumartiState University of Semarang2
Nuni WidiartiState University of Semarang2
Cepi KurniawanState University of Semarang1
M. DhiyaulkhaqState University of Semarang1
D. NasekhahAffiliation unknown1
M. H. IsmailUniversiti Teknologi MARA1
Novi Ratna DewiState University of Semarang1
Mahfud SyahroniAffiliation unknown1
Siti Herlina DewiState University of Semarang1
Eko Budi SusatyaAffiliation unknown1
Norma EralitaAffiliation unknown1
Rr. S.E PujiastutiAffiliation unknown1
Yosephine Debbie DamayantiAffiliation unknown1
Willy Tirza EdenAffiliation unknown1
M. Kholid Baror AbadiAffiliation unknown1
Zalfa Dwirakhma SaharaniAffiliation unknown1
Istijabah MufsirohAffiliation unknown1
Olin Amin SuryanaAffiliation unknown1
Saptorini SaptoriniAffiliation unknown1
Nur'aini MuharomahAffiliation unknown1
Ersanghono KusumaAffiliation unknown1
Muhammad FadloliAffiliation unknown1
Sigit PriatmokoState University of Semarang1
Nurkintan ApriliaAffiliation unknown1
Lies LestariningtiasAffiliation unknown1
Nanda Ayu LestariAffiliation unknown1
Riska SetiyoningtyasAffiliation unknown1
Harris AfriantonoAffiliation unknown1
Ita MawaddahAffiliation unknown1
Zerlinda FebrianaAffiliation unknown1

Affiliations come from OpenAlex; journal OAI-PMH metadata carries none. Authors without an OpenAlex ID are matched by name, which can merge or split people.

Metadata source: OAI-PMH (metadata jurnal) https://journal.unnes.ac.id/sju/index.php/ijcs/oai, first harvested 5 Nov 2026, last seen 5 Nov 2026.
Original metadata (oai_dc) 
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	<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>
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	<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>
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