[HTML][HTML] Computational design of promising 2D electrode materials for Li-ion and Li–S battery applications
Lithium-ion batteries (LIBs) and lithium-sulfur (Li–S) batteries are two types of energy
storage systems with significance in both scientific research and commercialization …
storage systems with significance in both scientific research and commercialization …
Thermoelectric properties, phonon, and mechanical stability of new half-metallic quaternary Heusler alloys: FeRhCrZ (Z= Si and Ge)
Computer simulations within the framework of density functional theory are performed to
study the electronic, dynamic, elastic, magnetic, and thermoelectric properties of a newly …
study the electronic, dynamic, elastic, magnetic, and thermoelectric properties of a newly …
Hexagonal and tetragonal ScX (X= P, As, Sb) nanosheets for optoelectronics and straintronics
The majority of already industrialized and technically feasible materials fall under the
category of non-van der Waals (n-vdW) materials. However, the library of two-dimensional …
category of non-van der Waals (n-vdW) materials. However, the library of two-dimensional …
Computational prediction of thermoelectric properties of 2D materials
In low dimensional materials, the conversion of thermal to electrical energy via
thermoelectric devices gained much more attention when a ZT> 5 was reported in …
thermoelectric devices gained much more attention when a ZT> 5 was reported in …
Interfacing boron monophosphide with molybdenum disulfide for an ultrahigh performance in thermoelectrics, two-dimensional excitonic solar cells, and …
A stable ultrathin 2D van der Waals (vdW) heterobilayer, based on the recently synthesized
boron monophosphide (BP) and the widely studied molybdenum disulfide (MoS2), has been …
boron monophosphide (BP) and the widely studied molybdenum disulfide (MoS2), has been …
Honeycomb-like puckered PbTe monolayer: A promising n-type thermoelectric material with ultralow lattice thermal conductivity
Inspired by the superior thermoelectric performance of two-dimensional (2D) materials, the
electrical transport and thermoelectric properties of honeycomb-like puckered PbTe …
electrical transport and thermoelectric properties of honeycomb-like puckered PbTe …
Thermoelectric investigation of transition metal oxide NiO2: A first principles study
The structural, electronic, and thermoelectric transport properties of two‐dimensional (2D)
NiO2 are investigated with the help of combined density functional theory and semi …
NiO2 are investigated with the help of combined density functional theory and semi …
XTlO (X= K, Rb, Cs): Novel 2D semiconductors with high electron mobilities, ultra-low lattice thermal conductivities and high thermoelectric figures of merit at room …
W Fang, H Wei, X **ao, Y Chen, K Kuang, M Li… - Applied Surface …, 2022 - Elsevier
Thermoelectric materials have attracted much attention in recent years because of their
potential application prospects in clean energy and waste heat utilization. In this work, we …
potential application prospects in clean energy and waste heat utilization. In this work, we …
SiH monolayer: A promising two‐dimensional thermoelectric material
Stability and dynamics of structure, mechanical and thermoelectric properties of SiH
monolayer have been reported in this work. After confirming the stability apprehensions …
monolayer have been reported in this work. After confirming the stability apprehensions …
Thermoelectric performance of 2D materials: The band-convergence strategy and strong intervalley scatterings
The strategy of band convergence of multi-valley conduction bands or multi-peak valence
bands has been widely used to search or improve thermoelectric materials. However, the …
bands has been widely used to search or improve thermoelectric materials. However, the …