A type-II GaP/GaSe van der Waals heterostructure with high carrier mobility and promising photovoltaic properties

Carrier mobility and optical properties of a type-II GaSe/ZnS heterostructure as a photocatalyst: a first-principles study

“…The results were consistent with the previously reported theoretical values. 8,19,22,34 On the other hand, the structurally optimized monolayer ZnS also had a hexagonal structure with a lattice parameter of a = b = 3.87 Å. The calculated value of the optimized bond length between Zn and S was 2.23 Å, which was consistent with previous experiments.…”

“…18 The advantages of a stable structure, high carrier mobility (410 3 cm 2 V À1 s À1 ) and batch production make it a promising photocatalytic material. [19][20][21][22] In 2017, Alharbi et al grew ZnS and GaSe thin films on glass substrates by physical vapor deposition (PVD) at a vacuum pressure of 10 À5 mbar. The experimental results showed that the formation of a GaSe/ZnS heterostructure reduced the band gap to 2.0 eV, lowered the carrier concentration, and significantly enhanced the inherent optical absorption capacity of ZnS.…”

Design and regulation of high-performance photovoltaic systems based on novel two-dimensional KAgSe/KAgX (X = S, Te) van der Waals heterojunctions

“…Since the carrier mobility ( μ 2D ) is another important factor for high-efficiency photovoltaic devices, we next predict the μ 2D of the KAgSe/KAgX vdWHs based on deformation potential (DP) theory, 61 whose theoretical reliability has been widely examined for many 2D atomic structures. 62,63 Here, e is the electron charge, C 2D is the elastic modulus, k B is the Boltzmann constant, T is the temperature, is the effective mass of electrons or holes, and E 1 is the deformation potential. The obtained carrier mobilities of the KAgSe/KAgX vdWHs are displayed in Table 1, and are approximately consistent with those of monolayer KAgS (6.257 × 10 3 cm 2 V −1 s −1 ) 12 and KAgSe (4.43 × 10 3 cm 2 V −1 s −1 ).…”

“…Since the carrier mobility (m 2D ) is another important factor for high-efficiency photovoltaic devices, we next predict the m 2D of the KAgSe/KAgX vdWHs based on deformation potential (DP) theory, 61 whose theoretical reliability has been widely examined for many 2D atomic structures. 62,63…”

Visualizing Orientation Controlled Interface and Interlayer Electron/Exciton–Phonon Coupling in the MoS2/MoTe2 Nanoheterostructure for Photoelectric Conversion

“…Van der Waals heterostructures (vdWHs) with weak interlayer van der Waals interactions have incredible properties and reliability. − Among them, the vdWHs of two different transition metal dichalcogenide (TMD) materials have been extensively studied, which are due to the improved light absorption and interlayer interaction of the two materials under light irradiation. One of the most prominent features of TMD/TMD heterostructure is the arrangement of band structures, which can be divided into three categories: spanning type I, interleaved type II, and gap-breaking type III. − The band-aligned structure determines the photogenerative carrier transfer and electron–hole (e–h) recombination processes.…”