Challenging breaking thermoelectric performance limits by twistronics

Abstract

With today's scarce resources, the issue of energy conversion is of great concern. Thermoelectric materials are capable of converting thermal energy into electrical energy. Excellent figure of merit (ZT) requires...

Electric, Optoelectronic, and Thermoelectric Properties of Moiré Superlattices of Bilayer Borophene with Different Twist Angles

“…The thermal current of a) 30° TBB, b) 21.79° TBB [ 11b ] and c) untwisted bilayer borophene [ 11b ] devices in the x and y directions, respectively. Red and blue indicate x and y transport directions, respectively.…”

“…The successful synthesis of bilayer borophene offers the possibility of generating twist bilayer borophene (TBB) in the future, and theoretical studies have shown that TBB has superior thermoelectric properties. [ 11 ] Twist angles provide a new platform to design structures for 2D materials, leading to improved properties. [ 12 ] By precisely tuning the twist angles, a range of intriguing phenomena can be induced, including adjustable Van Hove singularities, [ 13 ] quantized anomalous Hall effect, [ 14 ] unconventional superconductivity, [ 15 ] and topological insulator states.…”

Superior optical and thermoelectric properties of bilayer β12-like phase borophene synthesized on Cu(111) film

“…The analysis of the binding energy unveils crucial insights into the superior optical and thermoelectric properties exhibited by the BL β 12 -like phase borophene synthesized on the Cu(111) film. 49,50…”

Theoretical study of the direction of the excited-state intramolecular proton transfer of the HBS molecule

“…In this study, pertinent calculations were made with DFT and TDDFT methods 15–18 with the use of the Gaussian 09 computer program. 19 The ground (S 0 ) and first excited state (S 1 ) geometric configurations of the HBS were optimized based on the B3LYP functional theory model 20 and the TZVP basis set.…”