Gas-Phase Photocatalytic CO2 Reduction to Ethane via EDOT-Based Trimers

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60461373%3A22310%2F25%3A43932217" target="_blank" >RIV/60461373:22310/25:43932217 - isvavai.cz</a>

Result on the web

<a href="https://pubs.acs.org/doi/10.1021/acscatal.4c07788" target="_blank" >https://pubs.acs.org/doi/10.1021/acscatal.4c07788</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1021/acscatal.4c07788" target="_blank" >10.1021/acscatal.4c07788</a>

Result language

angličtina

Original language name

Gas-Phase Photocatalytic CO2 Reduction to Ethane via EDOT-Based Trimers

Original language description

The photocatalytic conversion of CO2 into fuels and high-value chemicals is a promising strategy to counteract the negative impact of greenhouse gas emissions. While most studies focus on UV-responsive semiconductors, few evaluate photocatalytic performance in the gas phase under visible light. In this work, we introduce 3,4-ethylenedioxythiophene (EDOT)-based conjugated trimers as visible-light-responsive photocatalysts for CO2 conversion in the gas phase. We examine how changes in the acceptor units of these donor-acceptor-donor trimers affect their molecular arrangements and photocatalytic performance. By tuning the acceptor units, we achieve different aggregate states, which enable us to modulate product selectivity, shifting from C-1 to C-2 products with high stability for over 10 h of light exposure under continuous gas flow. We attribute these variations to differences in energy band alignment, excited-state delocalization, and optical absorption properties linked to molecular packing. Moreover, the crucial roles of Cu as a cocatalyst and TEOA as a sacrificial agent in enhancing selectivity toward C-2 products were also discussed. The integration of experimental findings with density functional theory (DFT) calculations provides comprehensive insights into the molecular-level mechanisms driving selectivity and efficiency. Our study demonstrates that visible-light-responsive organic trimers can effectively convert CO2 to C-2 value-added products in the gas phase, contributing significantly to the development of solar-driven fuel production.

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

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OECD FORD branch

10405 - Electrochemistry (dry cells, batteries, fuel cells, corrosion metals, electrolysis)

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

2025

Confidentiality

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

Name of the periodical

ACS Catalysis

ISSN

2155-5435

e-ISSN

—

Volume of the periodical

15

Issue of the periodical within the volume

8

Country of publishing house

US - UNITED STATES

Number of pages

13

Pages from-to

6186-6198

UT code for WoS article

001458393300001

EID of the result in the Scopus database

2-s2.0-105001676667