UCL logo

UCL Discovery

UCL home » Library Services » Electronic resources » UCL Discovery

Defect Processes in a PbS Metal Organic Framework: A Quantum-Confined Hybrid Semiconductor

Walsh, A; (2010) Defect Processes in a PbS Metal Organic Framework: A Quantum-Confined Hybrid Semiconductor. J PHYS CHEM LETT , 1 (8) 1284 - 1287. 10.1021/jz100312y.

Full text not available from this repository.

Abstract

We report the effects of reduced dimensionality and organic networks on defect reactions in a hybrid solid of PbS (galena). Through first-principles calculations, we demonstrate that formation of the organic inorganic network increases both the band gap and defect reaction energies. Remarkably, anion vacancies result in a localized defect center in both the bulk and hybrid materials, with high ionization energies deep in the band gap, while cation vacancies provide low energy shallow acceptor levels: the hybrid system will favor intrinsic p-type conductivity. The results demonstrate the feasibility of utilizing hybrid solids to engineer material properties for solar cell applications.

Type:Article
Title:Defect Processes in a PbS Metal Organic Framework: A Quantum-Confined Hybrid Semiconductor
DOI:10.1021/jz100312y
Keywords:TOTAL-ENERGY CALCULATIONS, WAVE BASIS-SET, DOTS, EFFICIENCY, SOLIDS
UCL classification:UCL > School of BEAMS > Faculty of Maths and Physical Sciences > Chemistry

Archive Staff Only: edit this record