Litcius/Paper detail

Formation of copper boride on Cu(111)

Chengguang Yue, Xiao-Ji Weng, Guoying Gao, Artem R. Oganov, Xiao Dong, Xi Shao, Xiaomeng Wang, Jian Sun, Bo Xu, Hui-Tian Wang, Xiang-Feng Zhou, Yongjun Tian

2021Fundamental Research34 citationsDOIOpen Access PDF

Abstract

Boron forms compounds with nearly all metals, with notable exception of copper and other group IB and IIB elements. Here, we report an unexpected discovery of ordered copper boride grown epitaxially on Cu(111) under ultrahigh vacuum. Scanning tunneling microscopy experiments combined with ab initio evolutionary structure prediction reveal a remarkably complex structure of 2D-Cu8B14. Strong intra-layer p–d hybridization and a large amount of charge transfer between Cu and B atoms are the key factors for the emergence of copper boride. This makes the discovered material unique and opens up the possibility of synthesizing ordered low-dimensional structures in similar immiscible systems.

Topics & Concepts

BorideCopperMaterials scienceScanning tunneling microscopeCrystallographyBoronMetallurgyEpitaxyAb initioCrystal structureX-ray crystallographyAb initio quantum chemistry methodsChemistryGroup (periodic table)Boron and Carbon Nanomaterials ResearchSurface and Thin Film PhenomenaMXene and MAX Phase Materials