Scopus
YÖKSİS Eşleşti
Subphthalocyanines for Visible-Light-Driven Hydrogen Evolution: Tuning Photocatalytic Performance with Molecular Design
ACS Applied Energy Materials · Haziran 2023
YÖKSİS Kayıtları
Subphthalocyanines for Visible-Light-Driven Hydrogen Evolution: Tuning Photocatalytic Performance with Molecular Design
ACS Applied Energy Materials · 2023 SCI-Expanded
DOÇENT EMRE ASLAN →
Subphthalocyanines for Visible-Light-Driven Hydrogen Evolution: Tuning Photocatalytic Performance with Molecular Design
ACS Applied Energy Materials · 2023 SCI-Expanded
PROFESÖR İMREN HATAY PATIR →
Makale Bilgileri
DergiACS Applied Energy Materials
Yayın TarihiHaziran 2023
Cilt / Sayfa6 · 6607-6614
Scopus ID2-s2.0-85163539718
Özet
In this work, a series of subphthalocyanines (SubPcs) with a carboxylic acid anchoring group at the axial position were used as photosensitizers of TiO2 for photocatalytic hydrogen evolution from water under visible light irradiation. SubPc derivatives with various peripheral substituents were successfully prepared to systematically investigate the dependence of photocatalytic performance on electron-donating units (i.e., bisthiophene or thioether) at the peripheral position of the SubPcs. SubPc 2/TiO2/Pt shows the best photocatalytic activity among the three dye-sensitized photocatalysts, with a hydrogen evolution rate of 1.104 mmol·g-1·h-1. After 24 h irradiation, SubPc 2/TiO2/Pt achieved a remarkable catalytic activity for the production of H2 (19.96 mmol·g-1) with a TON value of 40 734 and a high STH efficiency of 2.1%. Density functional theory (DFT) and time-dependent DFT (TD-DFT) approaches were used to elucidate further structural and electrical properties, including the interaction patterns of tailored SubPcs. It is worth noting that the theoretical computations exhibit good conformity with the empirical data. The predicted fluctuations in photocatalytic activity detected in SubPc systems were shown to be closely associated with frontier molecular orbital (FMO) characteristics, noncovalent interaction (NCI) patterns, and the electron-donating nature of the fragments located at the peripheral positions.
Yazarlar (9)
1
Buket Güntay
2
Şifa Dogan
3
Askın Killi
4
Eminegül Genc Acar
ORCID: 0000-0003-1245-6112
5
Perihan Kübra Demircioglu
ORCID: 0000-0001-9077-5990
6
Emre Aslan
7
Gülbin Kurtay
ORCID: 0000-0003-0920-8409
8
Imren Hatay Patir
ORCID: 0000-0003-2937-6557
9
Mine Ince
ORCID: 0000-0002-9164-0446
Anahtar Kelimeler
artificial photosynthesis
density functional theory
dye sensitizer
photocatalytic hydrogen
subphthalocyanine
Kurumlar
Hacettepe Üniversitesi
Ankara Turkey
Selçuk Üniversitesi
Selçuklu Turkey
Tarsus University
Tarsus Turkey
Metrikler
6
Atıf
9
Yazar
5
Anahtar Kelime