Most intriguingly, the band edges of MoSSe/BSe vdW heterostructures meet the redox potential requirements for water splitting. Our results will be valuable for easing the investigation and applications of MoSSe/BSe heterostructures for optoelectronics and photocatalytic water splitting....
搜索智能精选题目Thestatue was in a ___ position outside the railway station. A imminent B potential C prominent D promote答案 C
The modulation of electrostatic potential and optoelectronic characteristics of Janus MoSSe/MX2 (M = Mo, X = S, Se) van der Waals (vdW) heterostructures with strain engineering were studied by first principles. Based on the effection of uniaxial strain, the electronic properties of heterostructures...
In this work, we perform first-principles density functional theory calculations to study siligraphene (SiC 3)/ hexagonal boron nitride (hBN) vdW-heterostructures. Siligraphene has comparable electronic properties to graphene, including the presence of a Dirac-like cone, thus we investigate its ...
We present a generalization of the transition state search using chemical dynamics simulations (TSSCDS) methodology (discussed in a previous study) which allows the topographical characterization of intermolecular potential energy surfaces (IPES) for non-covalently bound complexes (vdW-TSSCDS). Starting ...
Study of Magnetic Properties of 2D vdW Ferromagnets Fe3(Si/Sn)Te2 and Mn3SiTe2 towards Potential Spintronics Applicationsdoi:10.1007/978-981-19-0252-9_48Recently, the surge of 2D vdW ferromagnetic materials such as Fe 3 GeTe 2 , Cr 2 Ge 2 Te 6 , and CrI 3 due to their itinerant ...