Unveiling the effect of the polymerization degree of graphitic carbon nitride on the surface functionalization by low-temperature plasma:nInsights from XPS and DFT study

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F67985858%3A_____%2F25%3A00637865" target="_blank" >RIV/67985858:_____/25:00637865 - isvavai.cz</a>

Result on the web

<a href="https://www.sciencedirect.com/science/article/pii/S0169433225007871?via%3Dihub" target="_blank" >https://www.sciencedirect.com/science/article/pii/S0169433225007871?via%3Dihub</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1016/j.apsusc.2025.163073" target="_blank" >10.1016/j.apsusc.2025.163073</a>

Result language

angličtina

Original language name

Unveiling the effect of the polymerization degree of graphitic carbon nitride on the surface functionalization by low-temperature plasma:nInsights from XPS and DFT study

Original language description

This study investigates the electronic structure and surface chemistry of graphitic carbon nitride (gCN) with distinct degrees of polymerization. We compare gCN materials prepared via conventional pyrolysis of melamine (M-gCN) and pyrolysis of a melamine-cyanuric acid complex (CM-gCN). Using X-ray photoelectron spectroscopy (XPS) and Density functional theory (DFT) calculations, we provide unique comparison of melon and fullyheptazine based gCN structures, enabling precise identification of core-level XPS components and resolving common discrepancies in the literature. To introduce carboxyl (COOH), amide (CONH2), and amine (NH2) groups on the surface of gCN, both materials (M-gCN-PT and CM-gCN-PT) were treated by low-temperature air plasma and the presence of these groups was confirmed by XPS and DFT analysis. We demonstrate that the polymerization degree of gCN influences the concentration and orientation of surface functional groups, with differences observed in the amide group binding depending on the gCN structure. We also discuss influence of surface functional groups on the band structure of the materials experimentally by valence band XPS spectra and DFT simulations by comparing calculated projected density of states (PDOS). This work highlights the critical role of polymerization in optimizing the functionalization efficiency of gCN, providing valuable insights for enhancing its performance in practical applications.

Czech name

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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

20506 - Coating and films

Project

<a href="/en/project/GA23-06843S" target="_blank" >GA23-06843S: Advanced thin film photocatalysts on a basis of graphitic carbon nitride</a><br>

Continuities

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year

2025

Confidentiality

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

Name of the periodical

Applied Surface Science

ISSN

0169-4332

e-ISSN

1873-5584

Volume of the periodical

699

Issue of the periodical within the volume

AUG 1

Country of publishing house

NL - THE KINGDOM OF THE NETHERLANDS

Number of pages

10

Pages from-to

163073

UT code for WoS article

001469676800001

EID of the result in the Scopus database

2-s2.0-105001674970