The absorption spectra of torus-type C_(120) and its derivatives doped by nitrogen(C_(119)N, C_(118)N_2, C_(115)N_5) have been investigated based on the density functional theory. The longest absorption band of torus-...The absorption spectra of torus-type C_(120) and its derivatives doped by nitrogen(C_(119)N, C_(118)N_2, C_(115)N_5) have been investigated based on the density functional theory. The longest absorption band of torus-type C_(120) can arrive at the near IR fields. For three derivatives doped by nitrogen, doped nitrogen atoms can induce the longer absorption band, and the more numbers of nitrogen atoms are doped in torus-type C_(120), the longer absorption band can be induced.展开更多
基金supported by the Science Foundation of Shaan’xi Province(No.2018JM2033)Shaan’xi Provincial Education Department Project(No.18JK0836)+1 种基金Undergraduate Training Programs for Innovation(No.201828004)the Teaching Reform Project(No.2017Y007)
文摘The absorption spectra of torus-type C_(120) and its derivatives doped by nitrogen(C_(119)N, C_(118)N_2, C_(115)N_5) have been investigated based on the density functional theory. The longest absorption band of torus-type C_(120) can arrive at the near IR fields. For three derivatives doped by nitrogen, doped nitrogen atoms can induce the longer absorption band, and the more numbers of nitrogen atoms are doped in torus-type C_(120), the longer absorption band can be induced.
