Two-Dimensional Functionalized Germananes as Photoelectrocatalysts

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60461373%3A22310%2F21%3A43922120" target="_blank" >RIV/60461373:22310/21:43922120 - isvavai.cz</a>

Alternative codes found

RIV/00216305:26620/21:PU141635 RIV/62156489:43210/21:43920006 RIV/61989592:15310/21:73610142

Result on the web

<a href="https://pubs.acs.org/doi/10.1021/acsnano.1c02327" target="_blank" >https://pubs.acs.org/doi/10.1021/acsnano.1c02327</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1021/acsnano.1c02327" target="_blank" >10.1021/acsnano.1c02327</a>

Result language

angličtina

Original language name

Two-Dimensional Functionalized Germananes as Photoelectrocatalysts

Original language description

Succeeding graphene, monoelemental two-dimensional (2D) materials such as germanene and silicene, coined as &quot;Xenes&quot;, 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 &quot;Xanes&quot;for targeted tuning of the optical and electronic properties for photo- and electrochemical energy conversion applications. ©

Czech name

—

Czech description

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Type

J_imp - Article in a specialist periodical, which is included in the Web of Science database

CEP classification

—

OECD FORD branch

10402 - Inorganic and nuclear chemistry

Project

Result was created during the realization of more than one project. More information in the Projects tab.

Continuities

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Publication year

2021

Confidentiality

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Name of the periodical

ACS Nano

ISSN

1936-0851

e-ISSN

—

Volume of the periodical

15

Issue of the periodical within the volume

7

Country of publishing house

US - UNITED STATES

Number of pages

13

Pages from-to

11681-11693

UT code for WoS article

000679406500062

EID of the result in the Scopus database

2-s2.0-85108870819