Two-Dimensional Functionalized Germananes as Photoelectrocatalysts

Kód výsledku v 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>

Nalezeny alternativní kódy

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

Výsledek na webu

<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>

Jazyk výsledku

angličtina

Název v původním jazyce

Two-Dimensional Functionalized Germananes as Photoelectrocatalysts

Popis výsledku v původním jazyce

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. ©

Název v anglickém jazyce

Two-Dimensional Functionalized Germananes as Photoelectrocatalysts

Popis výsledku anglicky

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. ©

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10402 - Inorganic and nuclear chemistry

Projekt

Výsledek vznikl pri realizaci vícero projektů. Více informací v záložce Projekty.

Návaznosti

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

Rok uplatnění

2021

Kód důvěrnosti údajů

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

Název periodika

ACS Nano

ISSN

1936-0851

e-ISSN

—

Svazek periodika

15

Číslo periodika v rámci svazku

7

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

13

Strana od-do

11681-11693

Kód UT WoS článku

000679406500062

EID výsledku v databázi Scopus

2-s2.0-85108870819