Structural and diffusion properties of formamide/water mixture interacting with TiO2 surface

E. Dushanov, Kh Kholmurodov, K. Yasuoka

Research output: Contribution to journalArticle

2 Citations (Scopus)

Abstract

The photoreaction and adsorption properties on surfaces, thermal decomposition, chemical transformation, and other properties of the formamide molecule are widely used to understand the origins of the formation of biological molecules (nucleosides, amino acids, DNA, monolayers, etc.) needed for life. The titanium oxide (TiO2) surface can act both as a template on which the accumulation of adsorbed molecules like formamide occurs through the concentration effect, and as a catalytic material that lowers the activation energy needed for the formation of intermediate products. In this paper, a formamide-water solution interacting with TiO2 (anatase) surface is simulated using the molecular dynamics method. The structural, diffusion and density properties of formamide-water mixture on TiO2 are established for a wide temperature range from T = 250 K up to T = 400 K.

Original languageEnglish
Pages (from-to)11-16
Number of pages6
JournalBioorganic Chemistry
Volume50
DOIs
Publication statusPublished - 2013 Jan 1

Keywords

  • Catalysts
  • Formamide molecule
  • Molecular structures
  • Surface
  • Water

ASJC Scopus subject areas

  • Biochemistry
  • Molecular Biology
  • Drug Discovery
  • Organic Chemistry

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