Stacking pattern induced high ZTs in monolayer SnSSe and bilayer SnXY (X/Y= S, Se) materials with strong anharmonic phonon scattering
Abstract Two-dimensional (2D) Sn-based Janus materials have attracted enormous
attention on account of the inexpensive, earth-abundant, and eco-friendly merits. Whereas …
attention on account of the inexpensive, earth-abundant, and eco-friendly merits. Whereas …
Improving thermoelectric performance of asymmetrical Janus 1T-SnSSe monolayer by the synergistic effect of band convergence and crystal lattice softening under …
Recently, the 1T-SnSSe monolayer has attracted increasing attention in the thermoelectric
community on account of its low-cost and environmental friendliness. In this paper, the …
community on account of its low-cost and environmental friendliness. In this paper, the …
Enhancing phonon thermal transport in 2H-CrX 2 (X= S and Se) monolayers through robust bonding interactions
Inspired by the groundbreaking discovery of the 2H-MoS2 monolayer with outstanding
physical properties, the electronic structure, structural stability, and thermal transport of 2H …
physical properties, the electronic structure, structural stability, and thermal transport of 2H …
Unveiling the properties of transition-metal dichalcogenides: a comprehensive study of WTe2, WSe2, ZrTe2, and NiTe2 in bulk and monolayer forms
This study conducts a thorough examination of the properties of four transition-metal
dichalcogenides (TMDCs): WTe2, WSe2, ZrTe2, and NiTe2, using first-principles density …
dichalcogenides (TMDCs): WTe2, WSe2, ZrTe2, and NiTe2, using first-principles density …
Tailoring the electronic, mechanical, and carrier transport properties of 1T‐SnS2 monolayer via strain engineering: A first-principles study
Two-dimensional metal dichalcogenides have garnered significant interest in the realm of
electronic applications on account of their tunable electronic structures and high carrier …
electronic applications on account of their tunable electronic structures and high carrier …
Innovative 2D materials for efficient photocatalysis: A comparative study for WSi2N4, WGe2N4, and their janus counterpart WSiGeN4 monolayers
In pursuit of environmentally friendly and effective photocatalytic materials for water splitting,
this research paper presents a thorough evaluation of WSi 2 N 4, WGe 2 N 4, and their …
this research paper presents a thorough evaluation of WSi 2 N 4, WGe 2 N 4, and their …
Unravelling the regulating role of strain engineering on the phonon dispersion, mechanical behavior, and electronic transport properties of pentagonal PtTe2 …
Inspired by the experimental synthesis of PdSe 2 monolayer with a novel buckling
configuration, the mechanical property, phonon dispersion curve, electronic structure, and …
configuration, the mechanical property, phonon dispersion curve, electronic structure, and …
Structural, optoelectronic, excitonic, vibrational, and thermodynamic properties of 1T'-OsO2 monolayer via ab initio calculations
To unravel the structural, energetic stability, electronic, optical, excitonic, vibrational, and
thermodynamic properties of monoclinic 1A'-OsO 2 monolayer, we employed the first …
thermodynamic properties of monoclinic 1A'-OsO 2 monolayer, we employed the first …
First-principles study of wrinkled SnTe monolayer as p-type thermoelectric material
Tin telluride compounds are promising thermoelectric (TE) materials on account of the
excellent electronic and thermal transport properties. The present work focuses on …
excellent electronic and thermal transport properties. The present work focuses on …
Impact of van der Waals corrected functionals on monolayer GeSe polymorphs: An in-depth exploration
A comprehensive ab initio calculations were conducted to analyze the structural, electronic,
elastic, and phonon characteristics of monolayer GeSe polymorphs, utilizing various van der …
elastic, and phonon characteristics of monolayer GeSe polymorphs, utilizing various van der …