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Design high performance field-effect, strain/gas sensors of novel 2D penta-like Pd2P2SeX (X= O, S, Te) pin-junction nanodevices: A study of transport properties
In the realm of modern nanodevices, attaining high-switching performance and fulfilling
sensing detection functions in high-precision environments are of paramount importance …
sensing detection functions in high-precision environments are of paramount importance …
PbBi2Se4 monolayer: a new 2D material with outstanding electronic, photocatalytic, and optical properties
Abstract Two-dimensional layered PbBi 2 Se 4 nanosheets were recently successfully
produced [Chatterjee et al., Phys. Chem. Chem. Phys., 2014, 16, 14,635–14639]. Inspired by …
produced [Chatterjee et al., Phys. Chem. Chem. Phys., 2014, 16, 14,635–14639]. Inspired by …
High hydrogen production in two-dimensional GaTe/ZnI2 type-II heterostructure for water splitting
In this work, first-principles calculation was used to systematically examine the structural,
electronic, and optical properties of the GaTe/ZnI 2 heterostructure under the biaxial strain …
electronic, and optical properties of the GaTe/ZnI 2 heterostructure under the biaxial strain …
Puckered penta-like PdPX (X= O, S, Te) semiconducting nanosheets: first-principles study of the mechanical, electro-optical, and photocatalytic properties
The atomic, electronic, optical, and mechanical properties of penta-like two-dimensional
PdPX (X= O, S, Te) nanosheets have been systematically investigated using density …
PdPX (X= O, S, Te) nanosheets have been systematically investigated using density …
Prediction of new 2D Hf2Br2N2 monolayer as a promising candidate for photovoltaic applications
In the present work, the structural and optoelectronic properties of pristine and strained
hexagonal Hf 2 Br 2 N 2 monolayer have been investigated using the first-principles …
hexagonal Hf 2 Br 2 N 2 monolayer have been investigated using the first-principles …
Photocatalytic properties of anisotropic β-PtX 2 (X= S, Se) and Janus β-PtSSe monolayers
The highly efficient photocatalytic water splitting process to produce clean energy requires
novel semiconductor materials to achieve a high solar-to-hydrogen energy conversion …
novel semiconductor materials to achieve a high solar-to-hydrogen energy conversion …
High-performance photocatalytic and piezoelectric properties of two-dimensional transition metal oxyhalide and their Janus structures
As an emerging type of two-dimensional (2D) family, transition metal oxyhalides with the
chemical formula MOX 2 have been studied in recent years. Inspired by the successful …
chemical formula MOX 2 have been studied in recent years. Inspired by the successful …
[HTML][HTML] First principles calculations investigation of optoelectronic properties and photocatalytic CO2 reduction of (MoSi2N4) 5-n/(MoSiGeN4) n in-plane …
Abstract In-plane (MoSi 2 N 4) 5-n/(MoSiGeN 4) n heterostructures have been delicately
designed and systematically studied using first-principles density functional theory …
designed and systematically studied using first-principles density functional theory …
Collaborative activation mechanism in double transition metal MXenes anode: An effective method to improve the capacitance of sodium ion battery
Through theoretical calculations, it is found that anode materials with double transition metal
terminals (VNbC, VTaC, and NbTaC) exhibit better performance than their single metallic …
terminals (VNbC, VTaC, and NbTaC) exhibit better performance than their single metallic …
Electronic and optical properties of two-dimensional III2-VI3 materials with the FE-WZ′ structure
Based on the first-principles calculations, we have investigated the mechanical, phonon,
electronic and optical properties of two-dimensional (2D) In 2 Te 3 (FE-WZ′ phase) family …
electronic and optical properties of two-dimensional (2D) In 2 Te 3 (FE-WZ′ phase) family …