[19p-G202-1~12] 12.2 Characterization and Materials Physics

[19p-G202-4] Effects of counter-ion substitution on properties of artificial-retinal molecule : ab initio molecular dynamics simulations

〇Satoshi Ohmura¹, Kyosuke Sato², Koichiro Yamashita², Tetsuya Uchida², Kenji Tsuruta² (1.Hiroshima Inst. Tech., 2.Okayama Univ.)

Keywords:artificial retina, ab initio molecular dynamics simulation, counter-ion substitution

Using ab initio molecular dynamics simulation, we have investigated properties of an artificial-retinal molecule (NK5962). We will report effects of counter-ion substitution on properties of optical response and thermal stability of the molecule. We will also discuss dynamics of excited electron and hole produced by absorption of light.