Performance Comparison of Different Methyl Group Positioning on Salicylic acid Sensitizers for Photoelectrochromic Device

Seok In Lee, Jacinta Akoth Okwako, Seung Han Song, Sunghyoek Park, Thuy Thi Dao, Hung Van Tran, Bernard O. Aduda, Sebastian Waita, Young Sik Hong, Kyungwon Kwak, Sungjun Hong, Chi Hwan Han

Research output: Chapter in Book/Report/Conference proceedingConference contribution


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 languageEnglish
Title of host publication2023 IEEE 23rd International Conference on Nanotechnology, NANO 2023
PublisherIEEE Computer Society
Number of pages6
ISBN (Electronic)9798350333466
Publication statusPublished - 2023
Event23rd IEEE International Conference on Nanotechnology, NANO 2023 - Jeju City, Korea, Republic of
Duration: 2023 Jul 22023 Jul 5

Publication series

NameProceedings of the IEEE Conference on Nanotechnology
ISSN (Print)1944-9399
ISSN (Electronic)1944-9380


Conference23rd IEEE International Conference on Nanotechnology, NANO 2023
Country/TerritoryKorea, Republic of
CityJeju City

Bibliographical note

Publisher Copyright:
© 2023 IEEE.


  • DFT
  • ligand
  • methylsalicylic acid
  • Photoelectrochromic device (PECD)
  • Smart window

ASJC Scopus subject areas

  • Bioengineering
  • Electrical and Electronic Engineering
  • Materials Chemistry
  • Condensed Matter Physics


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