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 ...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.展开更多
The identification of highly abundant,“magic”spe-cies in the mass spectra of clusters have proven to be valuable in nanoscience,leading to the discovery of new stable species such as fullerenes and the elec-tronic s...The identification of highly abundant,“magic”spe-cies in the mass spectra of clusters have proven to be valuable in nanoscience,leading to the discovery of new stable species such as fullerenes and the elec-tronic shell structures of metallic clusters.展开更多
基金This material is based on work supported by the U.S.Department of Energy(DOE)under the award number DE-SC0006420This research was supported by the U.S.Department of Energy(DOE)under the award number DE-SC0006420.
文摘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.
基金The financial support for this work was provided by the National Natural Science Foundation of China(grant no.21722308 and 21802146)by Beijing Natural Science Foundation(2192064)+1 种基金by the National Project Development of Advanced Scientific Instruments Based on Deep Ultraviolet Laser Source(no.Y31M0112C1)by Key Research Program of Frontier Sciences(CAS,Grant QYZDBSSW-SLH024).
文摘The identification of highly abundant,“magic”spe-cies in the mass spectra of clusters have proven to be valuable in nanoscience,leading to the discovery of new stable species such as fullerenes and the elec-tronic shell structures of metallic clusters.
