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

Result code in 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>

Result on the web

<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>

Result language

angličtina

Original language name

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

Original language description

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.

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

10403 - Physical chemistry

Project

<a href="/en/project/EF16_019%2F0000754" target="_blank" >EF16_019/0000754: Nanotechnologies for Future</a><br>

Continuities

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

Publication year

2021

Confidentiality

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

Name of the periodical

Advanced Materials Interfaces

ISSN

2196-7350

e-ISSN

—

Volume of the periodical

8

Issue of the periodical within the volume

8

Country of publishing house

DE - GERMANY

Number of pages

11

Pages from-to

"2001392-1"-"2001392-11"

UT code for WoS article

000587977500001

EID of the result in the Scopus database

2-s2.0-85096964216