Co_(6)Se_(8)(PEt_(3))_(6) superatoms as tunable chemical dopants for two-dimensional semiconductors

查看全文 作　　者：Arthur [1]C.Reber;Shiv [1]N.Khanna

机构地区：[1]Department of Physics,Virginia Commonwealth University,Richmond,VA 23284,USA

出　　处：《npj Computational Materials》索引2018年第1期,共6页

基　　金：This material is based on work supported by the U.S.Department of Energy(DOE)under the award number DE-SC0006420;This research was supported by the U.S.Department of Energy(DOE)under the award number DE-SC0006420. 摘　　要：Electronic,optoelectronic,and other functionalities of semiconductors are controlled by the nature and density of carriers,and the location of the Fermi energy.Developing strategies to tune these parameters holds the key to precise control over semiconductors properties.We propose that ligand exchange on superatoms can offer a systematic strategy to vary these properties.We demonstrate this by considering a WSe_(2) surface doped with ligated metal chalcogenide Co_(6)Se_(8)(PEt_(3))_(6) clusters.These superatoms are characterized by valence quantum states that can readily donate multiple electrons.We find that the WSe_(2) support binds more strongly to the Co_(6)Se_(8) cluster than the PEt3 ligand,so ligand exchange between the phosphine ligand and the WSe_(2) support is energetically favorable.The metal chalcogenide superatoms serves as a donor that may transform the WSe_(2) p-type film into an ntype semiconductor.The theoretical findings complement recent experiments where WSe_(2) films with supported Co_(6)Se_(8)(PEt_(3))_(6) are indeed found to undergo a change in behavior from p-to n-type.We further show that by replacing the PEt3 ligands by CO ligands,one can control the electronic character of the surface and deposited species. 关键词：properties. SEMICONDUCTORS holds

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Co_(6)Se_(8)(PEt_(3))_(6) superatoms as tunable chemical dopants for two-dimensional semiconductors

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