Engineering C 60 ‖B 60 heterostructure for high performance electro-optic response: a theoretical performance study

Physical Chemistry Chemical Physics 2026

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Authors: Nader Ahmadvand
DOI: 10.1039/d5cp04105h
Cited by: 2
References: 27

Abstract

≈ 65). Maximally-localized Wannier function analysis provides direct real-space evidence for 58 symmetry-breaking interfacial electronic states within the van der Waals gap. These predicted highly polarizable hybrid orbitals, which exhibit long quasiparticle lifetimes, are identified as the definitive microscopic source of the immense EO effect. These predictions establish this heterostructure as a platform for nonlinear photonics and provide clear guidelines for the quantum-mechanical design of next-generation functional 2D materials.

Fields of Study & Subjects

Boron and Carbon Nanomaterials Research Nonlinear Optical Materials Research Nonlinear Optical Materials Studies

Publication details

Journal / source
Physical Chemistry Chemical Physics
Publisher
Royal Society of Chemistry (RSC)
Volume
28
Issue
3
Pages
2662–2677
Publication date
1 January 2026
Language
EN