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NG, S. ŠTURALA, J. VYSKOČIL, J. LAZAR, P. MARTINCOVÁ, J. PLUTNAR, J. PUMERA, M.
Original Title
Two-Dimensional Functionalized Germananes as Photoelectrocatalysts
Type
journal article in Web of Science
Language
English
Original Abstract
Succeeding graphene, monoelemental two-dimensional (2D) materials such as germanene and silicene, coined as "Xenes", have attracted vast scientific and technological interests. Adding covalently bonded hydrogen on both sides of germanene leads to germanane (i.e., hydrogen-terminated germanene, GeH). Further, the covalent functionalization of germanane allows the tuning of its physical and chemical properties. Diverse variants of germananes have been synthesized, but current research is primarily focused on their fundamental properties. As a case in point, their applications as photo- and electrocatalysts in the field of modern energy conversion have not been explored. Here, we prepare 2D germanene-based materials, specifically germanane and germananes functionalized by various alkyl chains with different terminal groups.germanane with methyl, propyl, hydroxypropyl, and 2-(methoxycarbonyl)ethyl.and investigate their structural, morphological, optical, electronic, and electrochemical properties. The bond geometries of the functionalized structures, their formation energies, and band gap values are investigated by density functional theory calculations. The functionalized germananes are tested as photoelectrocatalysts in the hydrogen evolution reaction (HER) and photo-oxidation of water. The performance of the germananes is influenced by the functionalized groups, where the germanane with -CH2CH2CH2OH termination records the lowest HER overpotentials and with -H termination reaches the highest photocurrent densities for water oxidation over the entire visible spectral region. These positive findings serve as an overview of organic functionalization of 2D germananes that can be expanded to other "Xanes" for targeted tuning of the optical and electronic properties for photo- and electrochemical energy conversion applications.
Keywords
group 14; layered materials; covalent functionalization; photoelectrochemistry; density functional theory; band gap; formation energy
Authors
NG, S.; ŠTURALA, J.; VYSKOČIL, J.; LAZAR, P.; MARTINCOVÁ, J.; PLUTNAR, J.; PUMERA, M.
Released
27. 7. 2021
Publisher
AMER CHEMICAL SOC
Location
WASHINGTON
ISBN
1936-086X
Periodical
ACS Nano (e-ISSN)
Year of study
15
Number
7
State
United States of America
Pages from
11681
Pages to
11693
Pages count
13
URL
https://pubs.acs.org/doi/10.1021/acsnano.1c02327
BibTex
@article{BUT172547, author="Siow Woon {Ng} and Jiří {Šturala} and Jan {Vyskočil} and Petr {Lazar} and Jana {Martincová} and Jan {Plutnar} and Martin {Pumera}", title="Two-Dimensional Functionalized Germananes as Photoelectrocatalysts", journal="ACS Nano (e-ISSN)", year="2021", volume="15", number="7", pages="11681--11693", doi="10.1021/acsnano.1c02327", issn="1936-086X", url="https://pubs.acs.org/doi/10.1021/acsnano.1c02327" }