Effects of reduced dimensionality on the electronic structure and defect chemistry of semiconducting hybrid organic-inorganic PbS solids

Defect physics of the kesterite thin-film solar cell absorber Cu2ZnSnS4

(2010) Shiyou Chen et al.   APPLIED PHYSICS LETTERS

Photostimulated Reduction Processes in a Titania Hybrid Metal-Organic Framework

(2010) Aron Walsh et al.   CHEMPHYSCHEM

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

(2010) Aron Walsh   Journal of Physical Chemistry Letters

Advances in computational studies of energy materials

(2010) C. R. A. Catlow et al.   PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES

Flexible Hybrid Semiconductors with Low Thermal Conductivity: The Role of Organic Diamines

(2009) Xiaoying Huang et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Crystal and electronic band structure of Cu2ZnSnX4 (X=S and Se) photovoltaic absorbers: First-principles insights

(2009) Shiyou Chen et al.   APPLIED PHYSICS LETTERS

Physical Properties, Intrinsic Defects, and Phase Stability of Indium Sesquioxide

(2009) Aron Walsh et al.   CHEMISTRY OF MATERIALS

(Cu2S2)(Sr3Sc2O5)−A Layered, Direct Band Gap, p-Type Transparent Conducting Oxychalcogenide: A Theoretical Analysis.

(2009) David O. Scanlon et al.   CHEMISTRY OF MATERIALS

Band Edge Electronic Structure of BiVO4: Elucidating the Role of the Bi s and V d Orbitals

(2009) Aron Walsh et al.   CHEMISTRY OF MATERIALS

Ligand-Based Modification of the Structures and Optical Properties of New Silver(I)-Rhenate(VII) Oxide/Organic Hybrid Solids

(2009) Haisheng Lin et al.   INORGANIC CHEMISTRY

A Multifunctional 3D Ferroelectric and NLO-Active Porous Metal−Organic Framework

(2009) Zhengang Guo et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Origin of electronic and optical trends in ternaryIn2O3(ZnO)ntransparent conducting oxides(n=1,3,5): Hybrid density functional theory calculations

(2009) Aron Walsh et al.   PHYSICAL REVIEW B

Native defect-induced multifarious magnetism in nonstoichiometric cuprous oxide: First-principles study of bulk and surface properties ofCu2−δO

(2009) Aloysius Soon et al.   PHYSICAL REVIEW B

Heyd-Scuseria-Ernzerhof hybrid functional for calculating the lattice dynamics of semiconductors

(2009) Kerstin Hummer et al.   PHYSICAL REVIEW B

Electronic structure and stability of quaternary chalcogenide semiconductors derived from cation cross-substitution of II-VI andI-III-VI2compounds

(2009) Shiyou Chen et al.   PHYSICAL REVIEW B

Acceptor Levels inp-TypeCu2O: Rationalizing Theory and Experiment

(2009) David O. Scanlon et al.   PHYSICAL REVIEW LETTERS

Synthesis and Structures of a New Series of Silver-Vanadate Hybrid Solids and Their Optical and Photocatalytic Properties

(2008) Haisheng Lin et al.   INORGANIC CHEMISTRY

Accurate solid-state band gaps via screened hybrid electronic structure calculations

(2008) Edward N. Brothers et al.   JOURNAL OF CHEMICAL PHYSICS

Zinc oxide: A case study in contemporary computational solid state chemistry

(2008) C. Richard A. Catlow et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Hybrid inorganic–organic materials: a new family in condensed matter physics

(2008) C N R Rao et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Hybrid functionals applied to extended systems

(2008) M Marsman et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Electronic structure and phase stability of MgO, ZnO, CdO, and related ternary alloys

(2008) Y. Z. Zhu et al.   PHYSICAL REVIEW B

Theoretical Description of Carrier Mediated Magnetism in Cobalt Doped ZnO

(2008) Aron Walsh et al.   PHYSICAL REVIEW LETTERS

Semiconducting Lead−Sulfur−Organic Network Solids

(2007) Dayna L. Turner et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY