Septia Eka Marsha Putra, Vera Khoirunisa, Fathan Akbar Nur Habibi, Indah Gumala Andirasdini
Polymeric formic acid is a type of formic acid that undergoes polymerization under high pressure, resulting in the formation of a polymeric phase. Formic acid is the simplest carboxylic acid and has a wide range of potential applications in various fields, including energy storage and catalysis. Previous studies have reported that the The adsorption of formic acid on clean surfaces lead to the formation of polymeric adlayers. Furthermore, previous studies also reported the importance of the interchain and intrachain between the polymeric formic acid. However, the inter-layered interaction of polymeric formic acid was not yet fully understood. In this study we investigated the interaction between polymeric formic acid using density functional theory (DFT). It is found that the inter-layered formic acid stabilizes the polymeric formic acid. Furthermore, we also investigated the interaction energy between the polymeric formic acid layer. The interaction energy between the polymeric layer increase by 0.15 ev compared to the single layer polymeric HCOOH. © 2025 Author(s).
Engineering Physics Department, Institut Teknologi Sumatera, Jl. Terusan Ryacudu, Way Huwi, Jati Agung, Lampung, South Lampung, 35365, Indonesia; Department of Actuarial Science, Institut Teknologi Sumatera, Jl. Terusan Ryacudu, Way Huwi, Jati Agung, Lampung, South Lampung, 35365, Indonesia