Related Experiment Video
Updated: Mar 31, 2026
Preparation of Large-area Vertical 2D Crystal Hetero-structures Through the Sulfurization of Transition Metal Films for Device Fabrication
Published on: November 28, 2017
Electronic structures of in-plane two-dimensional transition-metal dichalcogenide heterostructures
Wei Wei1, Ying Dai1, Qilong Sun1
1School of Physics, State Key Laboratory of Crystal Materials, Shandong University, Jinan 250100, China. daiy60@sdu.edu.cn.
Abstract:
Electronic structures of in-plane two-dimensional transition-metal dichalcogenide (TMD) heterostructures have been studied on the basis of the first-principles density functional calculations. In contrast to vertically stacked TMD heterostructures, true type-II band alignment could be established in in-plane TMD heterostructures due to their coherent lattice and strong electronic coupling, and thus leads to the efficient separation of electrons and holes. In in-plane TMD heterostructures interfaced along the zigzag direction, electronic reconstruction causes band bending in constituent TMDs, unveiling the great potential in achieving high efficiency of water splitting and constructing Schottky barrier solar cells. In addition, type-I alignment could also be demonstrated in in-plane TMD heterostructures, enriching the photoluminescence features of TMD materials. In-plane TMD heterostructures with the ultimate thickness limit for semiconductor heterostructures will definitely spark a surge in research activity.
More Related Videos
Related Concept Videos
02:46Crystal Field Theory - Tetrahedral and Square Planar Complexes
Crystal field theory (CFT) is applicable to molecules in geometries other than octahedral. In octahedral complexes, the lobes of the dx2−y2 and dz2 orbitals point directly at the ligands. For tetrahedral complexes, the d orbitals remain in place, but with only four ligands located between the axes. None of the orbitals points directly at the tetrahedral ligands. However, the dx2−y2 and dz2 orbitals (along the Cartesian axes) overlap with the ligands less than the dxy,...
02:58Crystal Field Theory - Octahedral Complexes
To explain the observed behavior of transition metal complexes (such as colors), a model involving electrostatic interactions between the electrons from the ligands and the electrons in the unhybridized d orbitals of the central metal atom has been developed. This electrostatic model is crystal field theory (CFT). It helps to understand, interpret, and predict the colors, magnetic behavior, and some structures of coordination compounds of transition metals.
CFT focuses on...
02:42Valence Bond Theory
01:24Metal-Semiconductor Junctions
Schottky Barriers
Schottky barriers arise when a metal with a work function (Φm) contacts a semiconductor with a different work function (Φs). Initially, electrons transfer until the Fermi levels of the metal and semiconductor align at equilibrium. For instance, if Φm > Φs, the semiconductor Fermi level is higher than the metal's before contact. The...
02:37Metallic Solids
All metallic solids exhibit high thermal and electrical conductivity, metallic luster, and malleability....
03:02Colors and Magnetism
When atoms or molecules absorb light at the proper frequency, their electrons are excited to higher-energy orbitals. For many main group atoms and molecules, the absorbed photons are in the ultraviolet range of the electromagnetic spectrum, which cannot be detected by the human eye. For coordination compounds, the energy difference between the d orbitals often allows photons in the visible range to be absorbed and emitted, which is seen as colors by the human...