Uncovering the origin of enhanced field emission properties of rGO–MnO₂heterostructures: a synergistic experimental and computational investigation

Abstract

<p>The unique structural merits of heterostructured nanomaterials including the electronic interaction, interfacial bonding and synergistic effects make them attractive for fabricating highly efficient optoelectronic devices.</p>

Electronic Structure and Surface Properties of Copper Thiocyanate: A Promising Hole Transport Material for Organic Photovoltaic Cells

“…The reduction in the work function upon DMSO adsorption may be rationalised by considering the fact that the DMSO adsorption is characterised by electron density rearrangement, which smoothens the surface electric charge distribution according to the Smoluchowski effect [ 63 , 64 ]. Similar results have been reported for other organic functionalised surfaces [ 65 , 66 , 67 , 68 ]. These calculated work functions compare closely with experimental measurements, which report the Φ of CuSCN in the range of 5.0–5.4 eV [ 69 , 70 , 71 , 72 ].…”

A Visible Light-Driven α-MnO2/UiO-66-NH2 S-Scheme Photocatalyst toward Ameliorated Oxy-TCH Degradation and H2 Evolution

“…In this case, the work function of UNH and α-MnO 2 was found to be 3.96 and 5.9 eV, respectively (Figure a), by using the equations given in Table S4, and these outcomes satisfy the first criterion of the S-scheme, i.e., that the reduction photocatalyst should have a higher VB and CB position with a smaller work function related to the oxidation photocatalyst. , Moreover, the Fermi-level position of α-MnO 2 and UNH is provided in Table S4. So, at the interface of the coupled material, the Fermi level of α-MnO 2 and UNH would show upward and downward movement, respectively, to be aligned at the same energy level and satisfies the second criterion (Figure b) of the S-scheme, i.e., Fermi-level alignment to the same energy level by its upward and downward movement in oxidation and reduction photocatalysts, respectively. , Finally, on the basis of its work function and Fermi level, the photogenerated electrons at the conduction band of α-MnO 2 and holes at the valence band of UNH will be recombined at the interface to make available the holes and electrons at their opposite ends for photoredox reaction and it supports the final step (Figure c) of the S-scheme, i.e., the recombination of electrons (oxidation photocatalyst) and holes (reduction photocatalyst) at the interface of the coupled material occurs by the columbic force of attraction. , …”

“…So, at the interface of the coupled material, the Fermi level of α-MnO 2 and UNH would show upward and downward movement, respectively, to be aligned at the same energy level and satisfies the second criterion (Figure 8b) of the S-scheme, i.e., Fermi-level alignment to the same energy level by its upward and downward movement in oxidation and reduction photocatalysts, respectively. 35,67 Finally, on the basis of its work function and Fermi level, the photogenerated electrons at the conduction band of α-MnO 2 and holes at the valence band of UNH will be recombined at the interface to make available the holes and electrons at their opposite ends for photoredox reaction and it supports the final step (Figure 8c) of the Sscheme, i.e., the recombination of electrons (oxidation photocatalyst) and holes (reduction photocatalyst) at the interface of the coupled material occurs by the columbic force of attraction. 68,69 Alternatively, there remains another possibility in which the flow of excitons follows the mechanism involving the "double charge-transfer" pathway.…”