Abstract
Photoelectrochromic device (PECD) has become an important prospect technology for the deployment as an energy saving smart window in commercial and residential building sector. In this study, the effects of the position of the methyl group in salicylic acid was investigated. Three different types of salicylic acid derivatives namely 3-methylsalicylic acid (3-MSA), 4-methylsalicylic acid (4-MSA) and 5-methylsalicylic acid (5- MSA) were used to sensitize TiO2 layer in PEC device. The experimental results confirmed that the device impregnated with 3-MSA had better coloration depth of 35.79% at 550nm achieved within 2min. The same device experienced fast bleaching speed with 97.25% of the initial transmittance recovered within 2.5hrs. Additionally, a theoretical simulation was performed for 3-MSA, 4-MSA and 5-MSA ligands. The properties of molecular structure and electronic excitation was computed using density functional theory/time dependent density functional theory (DFT/TDDFT) calculation. The obtained results confirmed that electronic excitation and the energy gap between highest occupied molecular orbital and lowest unoccupied molecular orbital (HOMO-LUMO) of the ligands contributes to the coloration and bleaching kinetics. The comprehensive discussion on the theoretical simulation and experimental results contributes to our understanding of the PECD smart window.
Original language | English |
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Title of host publication | 2023 IEEE 23rd International Conference on Nanotechnology, NANO 2023 |
Publisher | IEEE Computer Society |
Pages | 255-260 |
Number of pages | 6 |
ISBN (Electronic) | 9798350333466 |
DOIs | |
Publication status | Published - 2023 |
Event | 23rd IEEE International Conference on Nanotechnology, NANO 2023 - Jeju City, Korea, Republic of Duration: 2023 Jul 2 → 2023 Jul 5 |
Publication series
Name | Proceedings of the IEEE Conference on Nanotechnology |
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Volume | 2023-July |
ISSN (Print) | 1944-9399 |
ISSN (Electronic) | 1944-9380 |
Conference
Conference | 23rd IEEE International Conference on Nanotechnology, NANO 2023 |
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Country/Territory | Korea, Republic of |
City | Jeju City |
Period | 23/7/2 → 23/7/5 |
Bibliographical note
Publisher Copyright:© 2023 IEEE.
Keywords
- DFT
- Photoelectrochromic device (PECD)
- Smart window
- ligand
- methylsalicylic acid
ASJC Scopus subject areas
- Bioengineering
- Electrical and Electronic Engineering
- Materials Chemistry
- Condensed Matter Physics