Superior Thermoelectric Properties of Twist‐Angle Superlattice Borophene Induced by Interlayer Electrons Transport

Abstract

However, bilayer borophene is still difficult to prepare because further deposition of atomic boron after the formation of monolayers usually leads to the growth of 3D clusters. [10] Now, bilayer borophene have been synthesized on the (111) faces of two different metal single crystals: Ag and Cu. [11] After the atomic structure of α-phase bilayer borophene synthesized on Ag by Hersam et al, [11a] the thermoelectric properties of bilayer α-borophene were studied theoretically by Yang et al. [12] This paper presents a theoretical study of bilayer α-borane induced by twist angle, which is a very attractive research direction.Recently, 2D materials and their heterostructures have attracted much attention due to their unique electrical, optical, spin, thermal, and mechanical properties. [13] Weak van der Waals (vdW) interactions

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][16][17][18] with the use of the Gaussian 09 computer program. 19 The ground (S 0 ) and first excited state (S 1 ) geometric a College of Mathematics and Big Data, Chongqing University of Education, configurations of the HBS were optimized based on the B3LYP functional theory model 20 and the TZVP basis set.…”

Borophenes: monolayer, bilayer and heterostructures

“…61,62 In 2023, Song et al theoretically studied 301 twisted a-bilayer borophene (TBB) and explored the possibility of its synthesis. 71 The crystal structure is shown in Fig. 14a.…”

Recent Advances and Perspective in Electrically Regulated Surface‐Enhanced Raman Spectroscopy

“…Another approach to E-SERS is to utilize the spontaneous electric field of the SERS substrate material (Figure 2B). [21,22] Some substrate materials have self-generated electric properties in response to external stimuli, including piezoelectric, friction electric, thermoelectric, and pyroelectric materials. [23] These materials generate internal electric fields under conditions of mechanical deformation, mechanical friction, and controlled temperature changes in response to various forms of stimuli.…”