The electronic structure of ga-doped hydrogen-passivated germanene: First principle study

Mauludi Ariesto Pamungkas; Husain; Achmad Kafi Shobirin; Tri Sugiono

doi:10.4028/www.scientific.net/KEM.833.157

The electronic structure of ga-doped hydrogen-passivated germanene: First principle study

Mauludi Ariesto Pamungkas^*
, Husain
, Achmad Kafi Shobirin
, Tri Sugiono
, Abdurrouf

^*Corresponding author for this work

Faculty of Mathematics and Natural Sciences

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution › peer-review

1 Citation (Scopus)

Abstract

Germanene, which has the same structure as graphene, is an exciting novel 2D functionalized material that controls its band gap using functionalization. The effects of the Ga atom and hydrogen atoms on the structure of Ga-doped H-passivated germanene were investigated with a density functional theory (DFT) calculation. H-passivated germanene has a direct gap of 2.10 eV. Opening the band gap in the H-passivated germanene is due to transition from sp² to sp³ orbital. Adsorption of the Ga adatom on H-site decrease the band gap to 1.38 eV. No interaction between Ga atoms and Hydrogen atoms was observed. Hence, their effects on the band structure of hydrogenated graphene were independent of each other. Our results suggest that hydrogen passivation combined with adsorption of the Ga adatoms could effectively control the band gap of germanene.

Original language	English
Title of host publication	Material and Manufacturing Technology X
Editors	Mohd Hamdi Bin Abdul Shukor, Mohd Hamdi Bin Abdul Shukor, Vladimir Khovaylo
Publisher	Trans Tech Publications Ltd
Pages	157-161
Number of pages	5
ISBN (Print)	9783035715064
DOIs	https://doi.org/10.4028/www.scientific.net/KEM.833.157
Publication status	Published - 2020
Event	10th International Conference on Material and Manufacturing Technology, ICMMT 2019 - Kuala Lumpur, Malaysia Duration: 26 Apr 2019 → 28 Apr 2019

Publication series

Name	Key Engineering Materials
Volume	833 KEM
ISSN (Print)	1013-9826
ISSN (Electronic)	1662-9795

Conference

Conference	10th International Conference on Material and Manufacturing Technology, ICMMT 2019
Country/Territory	Malaysia
City	Kuala Lumpur
Period	26/04/19 → 28/04/19

UN SDGs

This output contributes to the following UN Sustainable Development Goals (SDGs)

SDG 7 Affordable and Clean Energy

Keywords

Electronic structure
First principle
Germanene

Access to Document

10.4028/www.scientific.net/KEM.833.157

Cite this

Pamungkas, M. A., Husain, Shobirin, A. K., Sugiono, T., & Abdurrouf (2020). The electronic structure of ga-doped hydrogen-passivated germanene: First principle study. In M. H. B. Abdul Shukor, M. H. B. Abdul Shukor, & V. Khovaylo (Eds.), Material and Manufacturing Technology X (pp. 157-161). (Key Engineering Materials; Vol. 833 KEM). Trans Tech Publications Ltd. https://doi.org/10.4028/www.scientific.net/KEM.833.157

@inproceedings{1eea9d6d35104762b8a7d81f3bb26d37,

title = "The electronic structure of ga-doped hydrogen-passivated germanene: First principle study",

abstract = "Germanene, which has the same structure as graphene, is an exciting novel 2D functionalized material that controls its band gap using functionalization. The effects of the Ga atom and hydrogen atoms on the structure of Ga-doped H-passivated germanene were investigated with a density functional theory (DFT) calculation. H-passivated germanene has a direct gap of 2.10 eV. Opening the band gap in the H-passivated germanene is due to transition from sp2 to sp3 orbital. Adsorption of the Ga adatom on H-site decrease the band gap to 1.38 eV. No interaction between Ga atoms and Hydrogen atoms was observed. Hence, their effects on the band structure of hydrogenated graphene were independent of each other. Our results suggest that hydrogen passivation combined with adsorption of the Ga adatoms could effectively control the band gap of germanene.",

keywords = "Electronic structure, First principle, Germanene",

author = "Pamungkas, \{Mauludi Ariesto\} and Husain and Shobirin, \{Achmad Kafi\} and Tri Sugiono and Abdurrouf",

note = "Publisher Copyright: {\textcopyright} 2020 Trans Tech Publications Ltd, Switzerland.; 10th International Conference on Material and Manufacturing Technology, ICMMT 2019 ; Conference date: 26-04-2019 Through 28-04-2019",

year = "2020",

doi = "10.4028/www.scientific.net/KEM.833.157",

language = "English",

isbn = "9783035715064",

series = "Key Engineering Materials",

publisher = "Trans Tech Publications Ltd",

pages = "157--161",

editor = "\{Abdul Shukor\}, \{Mohd Hamdi Bin\} and \{Abdul Shukor\}, \{Mohd Hamdi Bin\} and Vladimir Khovaylo",

booktitle = "Material and Manufacturing Technology X",

}

Pamungkas, MA, Husain, Shobirin, AK, Sugiono, T & Abdurrouf 2020, The electronic structure of ga-doped hydrogen-passivated germanene: First principle study. in MHB Abdul Shukor, MHB Abdul Shukor & V Khovaylo (eds), Material and Manufacturing Technology X. Key Engineering Materials, vol. 833 KEM, Trans Tech Publications Ltd, pp. 157-161, 10th International Conference on Material and Manufacturing Technology, ICMMT 2019, Kuala Lumpur, Malaysia, 26/04/19. https://doi.org/10.4028/www.scientific.net/KEM.833.157

The electronic structure of ga-doped hydrogen-passivated germanene: First principle study. / Pamungkas, Mauludi Ariesto; Husain; Shobirin, Achmad Kafi et al.
Material and Manufacturing Technology X. ed. / Mohd Hamdi Bin Abdul Shukor; Mohd Hamdi Bin Abdul Shukor; Vladimir Khovaylo. Trans Tech Publications Ltd, 2020. p. 157-161 (Key Engineering Materials; Vol. 833 KEM).

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution › peer-review

TY - GEN

T1 - The electronic structure of ga-doped hydrogen-passivated germanene

T2 - 10th International Conference on Material and Manufacturing Technology, ICMMT 2019

AU - Pamungkas, Mauludi Ariesto

AU - Husain,

AU - Shobirin, Achmad Kafi

AU - Sugiono, Tri

AU - Abdurrouf,

PY - 2020

Y1 - 2020

N2 - Germanene, which has the same structure as graphene, is an exciting novel 2D functionalized material that controls its band gap using functionalization. The effects of the Ga atom and hydrogen atoms on the structure of Ga-doped H-passivated germanene were investigated with a density functional theory (DFT) calculation. H-passivated germanene has a direct gap of 2.10 eV. Opening the band gap in the H-passivated germanene is due to transition from sp2 to sp3 orbital. Adsorption of the Ga adatom on H-site decrease the band gap to 1.38 eV. No interaction between Ga atoms and Hydrogen atoms was observed. Hence, their effects on the band structure of hydrogenated graphene were independent of each other. Our results suggest that hydrogen passivation combined with adsorption of the Ga adatoms could effectively control the band gap of germanene.

AB - Germanene, which has the same structure as graphene, is an exciting novel 2D functionalized material that controls its band gap using functionalization. The effects of the Ga atom and hydrogen atoms on the structure of Ga-doped H-passivated germanene were investigated with a density functional theory (DFT) calculation. H-passivated germanene has a direct gap of 2.10 eV. Opening the band gap in the H-passivated germanene is due to transition from sp2 to sp3 orbital. Adsorption of the Ga adatom on H-site decrease the band gap to 1.38 eV. No interaction between Ga atoms and Hydrogen atoms was observed. Hence, their effects on the band structure of hydrogenated graphene were independent of each other. Our results suggest that hydrogen passivation combined with adsorption of the Ga adatoms could effectively control the band gap of germanene.

KW - Electronic structure

KW - First principle

KW - Germanene

UR - https://www.scopus.com/pages/publications/85083392821

U2 - 10.4028/www.scientific.net/KEM.833.157

DO - 10.4028/www.scientific.net/KEM.833.157

M3 - Conference contribution

AN - SCOPUS:85083392821

SN - 9783035715064

T3 - Key Engineering Materials

SP - 157

EP - 161

BT - Material and Manufacturing Technology X

A2 - Abdul Shukor, Mohd Hamdi Bin

A2 - Khovaylo, Vladimir

PB - Trans Tech Publications Ltd

Y2 - 26 April 2019 through 28 April 2019

ER -

The electronic structure of ga-doped hydrogen-passivated germanene: First principle study

Abstract

Publication series

Conference

UN SDGs

Keywords

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