The BOLS-NEP theory reconciling the attributes of undercoordinated adatoms,defects,surfaces and nanostructures  

作　　者：Changqing Sun 

机构地区：[1]NOVITAS,School of EEE,Nanyang Technological University,Singapore,639798,Singapore [2]EBEAM,School of Materials,Yangtze Normal University,Chongqing,408100,China

出　　处：《Nano Materials Science》2020年第4期333-345,共13页纳米材料科学（英文版）

基　　金：Financial support from the National Natural Science Foundation of China(No.21273191)is acknowledged.

摘　　要：This article describes a theory unifying the unusual performance of the undercoordinated adatoms,point defects,terrace edges,surfaces,and nanostructures of various shapes.The ideas of bond order-length-strength correlation and the associated nonbonding electron polarization(BOLS-NEP)feature that bonds between undercoordinated atoms contract spontaneously.Bond contraction raises the local density of charge and energy.Bond strength gain deepens the interatomic potential well to trap the core and bonding electrons deeply.In turn,the locally and densely entrapped electrons polarize those partially occupying the valence band and above pertaining to the lower-coordinated atoms.The BOLS-NEP theory reconciles the unusual behaviors of undercoordinated systems and the size dependency of nanostructures in their lattice oscillating dynamics,mechanical strength,thermal stability,photon emissivity,chemical reactivity,dielectric permeability,associated with generation of polarized Dirac fermions,serving as carriers for extraordinary catalysis,hydrophobicity,fluidity,lubricity,as well as monolayer high-TC superconductivity and topological insulator conductivity.

关 键 词：NANOSTRUCTURES Surface Defect Bond relaxation ENTRAPMENT Polarization Single-atom catalysis SUPERCONDUCTIVITY IHPR 

分 类 号：TB383.1[一般工业技术—材料科学与工程]