The Schottky barrier of heterojunction improves the photocatalytic efficiency in graphene-like composites

The metal atomic substitution induced half-metallic properties, metallic properties and semiconducting properties in X–N4 nanoribbons

“…6(a)–(d). 40–42 Subsequently, analysis of the Mn–ZN 4 NR revealed that the VBM and CBM charge density was mainly concentrated in the P Z orbital, as shown in Fig. 6(a) and (b).…”

Potential applications of C2N-h2D/BN nanoribbon adsorption of transition metals in spintronic devices and magnetic storage devices

“…By comparing the charge density at the VBM and CBM of the C 2 N-h2D/BN nanoribbon, it can be observed that there is minimal overlap between the charge densities at the VBM and CBM, with only partial overlap at the C 2 N-h2D/BN interface. 48 The charge density analysis indicates that the electron mobility near the Fermi surface of the C 2 N-h2D/BN nanoribbon is not satisfactory for the application of electronic devices. Some studies have found that doping transition metal atoms can introduce or manipulate magnetism in nonmagnetic systems.…”

Decorating Cd0.9Zn0.1S Using a Magnetic FeCo@ N-Doped Graphite Carbon Layer to Achieve Considerable Hydrogen Evolution Efficiency

“…Based on the above experimental data and DFT calculation results, a possible electron transfer mechanism of the Schottky junction was proposed. Since the metal contacted with the semiconductor, the Schottky barrier­(φ sb ) will be generated, which changed the flow direction of electrons. − For n-type semiconductors, the Schottky barrier was defined as the difference between the semiconduction and metal work function . The calculated φ sb was 0.43 eV.…”