A TiSe monolayer as a superior anode for applications of Li/Na/K-ion batteries
M Wang, S Wang, Y Liang, Y **e, X Ye… - Physical Chemistry …, 2023 - pubs.rsc.org
Using density functional theory (DFT), we investigated the energy-storage capabilities of a
two-dimensional TiSe monolayer for applications of the anode material of Li/Na/K-ion …
two-dimensional TiSe monolayer for applications of the anode material of Li/Na/K-ion …
Electron oriented injection TiSe 2–C laminated heterojunctions derived from terminal functionalized MXene for high-rate sodium ion storage
E Xu, J Zhang, Y Liu, H Zhu, Z Sun, Y Chang… - Journal of Materials …, 2021 - pubs.rsc.org
Herein, TiSe2–C laminated heterojunction in situ derived from halogen ion (–Cl,–F) terminal
functionalized Ti3C2Tx MXene was prepared by the solid-state reaction. Functional …
functionalized Ti3C2Tx MXene was prepared by the solid-state reaction. Functional …
Ab initio calculations of electronic, magnetic, optical, and photocatalytic properties of strained 1t–zrse2
Because transition metal dichalcogenides (TMDs) can withstand high strain, strain
engineering has shown to be an attractive strategy for modulating TMD characteristics and …
engineering has shown to be an attractive strategy for modulating TMD characteristics and …
A first-principles study of the electronic, mechanical, vibrational, and optical properties of the zirconium carbide under high pressure
Zirconium carbide is a compound widely used in cutting tools, nuclear reactors, field emitter
arrays and solar energy receivers; additionally, combined with other materials, it can be …
arrays and solar energy receivers; additionally, combined with other materials, it can be …
Li/Na atoms' substitution effects on the structural, electronic, and mechanical properties of the CaSnO3 perovskite for battery applications
Calcium stannate perovskite CaSnO 3 (CSO) is an interesting material for lithium-and
sodium-ion batteries (LIBs and SIBs), due to their high hardness and mechanical resistance …
sodium-ion batteries (LIBs and SIBs), due to their high hardness and mechanical resistance …
Effects of High Hydrostatic Pressure on the Structural, Electronic, and Elastic Properties, and Li-Ion Diffusion Barrier of Lithium Lanthanum Titanate Electrolytes: A DFT …
Lithium lanthanum titanate perovskites (LLTO) are excellent solid electrolytes because of
their good ionic conductivity and elasticity. In this work, the effects of high hydrostatic …
their good ionic conductivity and elasticity. In this work, the effects of high hydrostatic …
Effects of the phase transition on the structural, mechanical, electronic and vibrational properties of the CaSnO3 perovskite: Study under hydrostatic pressure
For this work, a theoretical study was carried out on the CaSnO 3 perovskite, under
hydrostatic pressure, in the Density Functional Theory framework. The CASTEP code was …
hydrostatic pressure, in the Density Functional Theory framework. The CASTEP code was …
Enhanced Thomson and Unusual Nernst Coefficients in 1T‐TiSe2 Due to Bipolar Transport and CDW Phase Transition
Thermoelectric coolers utilizing the Peltier effect have dominated the field of solid‐state
cooling but their efficiency is hindered by material limitations. Alternative routes based on …
cooling but their efficiency is hindered by material limitations. Alternative routes based on …
Substitution effects on the structural, mechanical, electronic and electrochemical properties of lithium/sodium strontium stannate perovskite for battery applications
Tin-based perovskites are interesting compounds for storage systems containing Li/Na ions.
In addition, they have compact symmetries with high mechanical resistance. In this context …
In addition, they have compact symmetries with high mechanical resistance. In this context …
Simple exact analytical solution of laser-induced thermal transport in supported 2D materials
SMH Goushehgir - International Communications in Heat and Mass …, 2021 - Elsevier
This work proposes a very simple and exact analytical method for analysis of laser-induced
steady-state heat transfer in supported two-dimensional (2D) materials over an infinite …
steady-state heat transfer in supported two-dimensional (2D) materials over an infinite …