title: Zn(x)Cd(1-x)Se nanomultipods with tunable band gaps: synthesis and first-principles calculations.
abstract: In this paper, we demonstrate that ZnxCd1-xSe nanomultipods can be synthesized via a facile and nontoxic solution-based method. Interesting aspects of composition, morphology and optical properties were deeply explored. The value of Zn/(Zn+Cd) could be altered across the entire range from 0.08 to 0.86 by varying the ratio of cation precursor contents. The band gap energy could be linearly tuned from 1.88 to 2.48 eV with respect to the value of Zn/(Zn+Cd). The experiment also showed that oleylamine played a dominant role in the formation of multipod structure. A possible growth mechanism was further suggested. First-principles calculations of band gap energy and density of states in the Vienna ab initio simulation package code were performed to verify the experimental variation tendency of the band gap. Computational results indicated that dissimilarities of electronic band structures and orbital constitutions determined the tunable band gap of the as-synthesized nanomultipod, which might be promising for versatile applications in relevant areas of solar cells, biomedicine, sensors, catalysts and so on.
authors.affiliation: Key Laboratory for Thin Film and Microfabrication Technology of Ministry of Education, Institute of Micro/Nano Science and Technology, Shanghai Jiao Tong University, Shanghai, 200240, People's Republic of China. haowei@sjtu.edu.cn
authors.forename: Hao
authors.initials: H
authors.lastname: Wei
authors.forename: Yanjie
authors.initials: Y
authors.lastname: Su
authors.forename: Ziyi
authors.initials: Z
authors.lastname: Han
authors.forename: Tongtong
authors.initials: T
authors.lastname: Li
authors.forename: Xinglong
authors.initials: X
authors.lastname: Ren
authors.forename: Zhi
authors.initials: Z
authors.lastname: Yang
authors.forename: Liangming
authors.initials: L
authors.lastname: Wei
authors.forename: Fengsong
authors.initials: F
authors.lastname: Cong
authors.forename: Yafei
authors.initials: Y
authors.lastname: Zhang
mesh_terms: D002104:Cadmium / Q000737:chemistry*; D019187:Cadmium Compounds / Q000737:chemistry; D053758:Nanoparticles / Q000737:chemistry* / Q000648:ultrastructure; D010316:Particle Size; D012643:Selenium / Q000737:chemistry*; D018036:Selenium Compounds / Q000737:chemistry; D013052:Spectrometry, X-Ray Emission; D013056:Spectrophotometry, Ultraviolet; D014961:X-Ray Diffraction; D015032:Zinc / Q000737:chemistry*
chemical_list: D019187:Cadmium Compounds; D018036:Selenium Compounds; D002104:Cadmium; C058667:cadmium selenide; D012643:Selenium; D015032:Zinc