Anchoring of Transition Metals to Graphene Derivatives as an Efficient Approach for Designing Single-Atom Catalysts

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61989592%3A15310%2F21%3A73603723" target="_blank" >RIV/61989592:15310/21:73603723 - isvavai.cz</a>

Výsledek na webu

<a href="https://onlinelibrary.wiley.com/doi/10.1002/admi.202001392" target="_blank" >https://onlinelibrary.wiley.com/doi/10.1002/admi.202001392</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1002/admi.202001392" target="_blank" >10.1002/admi.202001392</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Anchoring of Transition Metals to Graphene Derivatives as an Efficient Approach for Designing Single-Atom Catalysts

Popis výsledku v původním jazyce

Graphene derivatives with anchored metal atoms represent a promising class of single-atom catalysts (SACs). To elucidate factors determining the bond strength between metal atoms and graphene derivatives, a series of late 3d and 4d elements, including the iron triad, light platinum group elements, and coinage metals (Fe, Co, Ni, Ru, Rh, Pd, Cu, Ag, and Au), in different oxidation states (from 0 to +III) bonded to either cyanographene (CG) or graphene acid (GA) is explored. The vast diversity of N center dot center dot center dot Me and O center dot center dot center dot Me bond dissociation energies is related to charge transfer between the metal and substrate. The ability of CG and GA to reduce metal cations and oxidize metal atoms is attributed to the pi-conjugated lattice of the graphene derivatives. The binding energies of core electrons of the anchored metals are predicted to enable experimental identification via X-ray photoelectron spectroscopy. The anchoring of metals is accompanied by either complete or partial spin quenching, leading in most cases to the same oxidation state of the metal regardless of its initial charge. The identified features can be utilized in designing new materials with a high potential in heterogenous SACs as well as electrochemical and spintronic applications.

Název v anglickém jazyce

Anchoring of Transition Metals to Graphene Derivatives as an Efficient Approach for Designing Single-Atom Catalysts

Popis výsledku anglicky

Graphene derivatives with anchored metal atoms represent a promising class of single-atom catalysts (SACs). To elucidate factors determining the bond strength between metal atoms and graphene derivatives, a series of late 3d and 4d elements, including the iron triad, light platinum group elements, and coinage metals (Fe, Co, Ni, Ru, Rh, Pd, Cu, Ag, and Au), in different oxidation states (from 0 to +III) bonded to either cyanographene (CG) or graphene acid (GA) is explored. The vast diversity of N center dot center dot center dot Me and O center dot center dot center dot Me bond dissociation energies is related to charge transfer between the metal and substrate. The ability of CG and GA to reduce metal cations and oxidize metal atoms is attributed to the pi-conjugated lattice of the graphene derivatives. The binding energies of core electrons of the anchored metals are predicted to enable experimental identification via X-ray photoelectron spectroscopy. The anchoring of metals is accompanied by either complete or partial spin quenching, leading in most cases to the same oxidation state of the metal regardless of its initial charge. The identified features can be utilized in designing new materials with a high potential in heterogenous SACs as well as electrochemical and spintronic applications.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10403 - Physical chemistry

Projekt

<a href="/cs/project/EF16_019%2F0000754" target="_blank" >EF16_019/0000754: Nanotechnologie pro budoucnost</a><br>

Návaznosti

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)<br>S - Specificky vyzkum na vysokych skolach

Rok uplatnění

2021

Kód důvěrnosti údajů

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

Název periodika

Advanced Materials Interfaces

ISSN

2196-7350

e-ISSN

—

Svazek periodika

8

Číslo periodika v rámci svazku

8

Stát vydavatele periodika

DE - Spolková republika Německo

Počet stran výsledku

11

Strana od-do

"2001392-1"-"2001392-11"

Kód UT WoS článku

000587977500001

EID výsledku v databázi Scopus

2-s2.0-85096964216