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Photo-generated dynamics have been extensively studied in two-dimensional (2D) heterostructures, such as MoSe2/WSe2 and MoSe2/MoS2. Here, we fabricate few-layer PbI2 and monolayer MoSe2 van der Waals (vdW) heterostructures. The excited-wavelength dependent measurements of photoluminescence (PL) and transient dynamic absorption spectra show that there is almost no photo-generated charge transfer between PbI2 and MoSe2. PL changes of MoSe2 are rather dominated by the Fermi level (EF) modulation through the interlayer charge transfer. Density functional theory calculation shows that binding energies in the heterostructures of MoSe2/WSe2 or MoSe2/MoS2 are 2–3 times higher than that of the MoSe2/PbI2 heterostructure, suggesting the weaker interlayer coupling between MoSe2 and PbI2. We propose that the weak interlayer vdW coupling cannot drive the photo-generated interlayer charge transfer while the EF modulation can be achieved through the interlayer charge transfer. The findings will be helpful to fundamental research and applications for novel optoelectronic devices based on 2D material vdW heterostructures. [ABSTRACT FROM AUTHOR]

Chain reactions on a surface offer an important route to linear nanopatterning. We recently reported cooperative reactions on a silicon surface in which the reaction of one halogen atom with a silicon atom of a silicon dimer induced the halogenation of its neighbouring silicon atom through surface-mediated charge transfer. The reaction was unable to propagate further but here we describe how, by chemically bridging the gaps between the rows of these silicon dimers, this mechanism is able to form extended chains. The agents for chain growth are CH3Cl molecules that dissociatively attach CH3 groups and chlorine atoms to silicon atoms from different dimers. By means of charge transfer through the surface, this gives rise to dangling bonds adjacent to the CH3 groups and chlorine atoms (in effect, 'free radicals') that dissociate further incoming CH3Cl molecules, thereby providing the growing points for chains of indefinite length. This versatile mechanism of chain growth is examined in experiments and using ab initio theory. [ABSTRACT FROM AUTHOR]

We report first-principles theoretical investigations of possible metal contacts to monolayer black phosphorus (BP). By analyzing lattice geometry, five metal surfaces are found to have minimal lattice mismatch with BP: Cu(111), Zn(0001), In(110), Ta(110), and Nb(110). Further studies indicate Ta and Nb bond strongly with monolayer BP causing substantial bond distortions, but the combined Ta-BP and Nb-BP form good metal surfaces to contact a second layer BP. By analyzing the geometry, bonding, electronic structure, charge transfer, potential, and band bending, it is concluded that Cu(111) is the best candidate to form excellent Ohmic contact to monolayer BP. The other four metal surfaces or combined surfaces also provide viable structures to form metal/BP contacts, but they have Schottky character. Finally, the band bending property in the current-in-plane (CIP) structure where metal/BP is connected to a freestanding monolayer BP, is investigated. By both work function estimates and direct calculations of the two-probe CIP structure, we find that the freestanding BP channel is n type. [ABSTRACT FROM AUTHOR]