A complete set of self-consistent charge density-functional tight-binding parametrization of zinc chalcogenides (ZnX; X=O, S, Se, and Te)

Self-Consistent-Charge Density-Functional Tight-Binding Parameters for Cd–X (X = S, Se, Te) Compounds and Their Interaction with H, O, C, and N

(2011) Sunandan Sarkar et al.   Journal of Chemical Theory and Computation

Phase Transition of II−VI Semiconductor Nanocrystals

(2010) S. Li et al.   Journal of Physical Chemistry C

Atomic Structure of the Magic (ZnO)60 Cluster: First-Principles Prediction of a Sodalite Motif for ZnO Nanoclusters

(2010) Baolin Wang et al.   Journal of Physical Chemistry C

Ultrafast Hole Transfer in CdSe/ZnTe Type II Core−Shell Nanostructure

(2010) Sreejith Kaniyankandy et al.   Journal of Physical Chemistry C

Efficient Semiconductor-Sensitized Solar Cells Based on Poly(3-hexylthiophene)@CdSe@ZnO Core−Shell Nanorod Arrays

(2010) Yanzhong Hao et al.   Journal of Physical Chemistry C

Energies, Geometries, and Charge Distributions of Zn Molecules, Clusters, and Biocenters from Coupled Cluster, Density Functional, and Neglect of Diatomic Differential Overlap Models

(2009) Anastassia Sorkin et al.   Journal of Chemical Theory and Computation

Toward an Accurate Density-Functional Tight-Binding Description of Zinc-Containing Compounds

(2009) Ney H. Moreira et al.   Journal of Chemical Theory and Computation

An Improved Self-Consistent-Charge Density-Functional Tight-Binding (SCC-DFTB) Set of Parameters for Simulation of Bulk and Molecular Systems Involving Titanium

(2009) Grygoriy Dolgonos et al.   Journal of Chemical Theory and Computation

Blue-Shifted Emission in CdTe/ZnSe Heterostructured Nanocrystals

(2009) Nishshanka N. Hewa-Kasakarage et al.   Journal of Physical Chemistry C

Long Electron−Hole Separation of ZnO-CdS Core−Shell Quantum Dots

(2009) Fen Xu et al.   Journal of Physical Chemistry C

Radiative Recombination of Spatially Extended Excitons in (ZnSe/CdS)/CdS Heterostructured Nanorods

(2009) Nishshanka N. Hewa-Kasakarage et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

First-Principles Study of the Surface of Wurtzite ZnO and ZnS - Implications for Nanostructure Formation

(2009) Sung-Ho Na et al.   JOURNAL OF THE KOREAN PHYSICAL SOCIETY

Size-Dependent Waveguide Dispersion in Nanowire Optical Cavities: Slowed Light and Dispersionless Guiding

(2009) Lambert K. van Vugt et al.   NANO LETTERS

Cage and tube structures of medium-sized zinc oxide clusters (ZnO)n (n=24, 28, 36, and 48)

(2008) Baolin Wang et al.   JOURNAL OF CHEMICAL PHYSICS

Electronic and Structural Properties of the (101̅0) and (112̅0) ZnO Surfaces

(2008) N. L. Marana et al.   JOURNAL OF PHYSICAL CHEMISTRY A

First-principles study of ZnS nanostructures: nanotubes, nanowires and nanosheets

(2008) Xuejuan Zhang et al.   NANOTECHNOLOGY

Zn Coordination Chemistry:  Development of Benchmark Suites for Geometries, Dipole Moments, and Bond Dissociation Energies and Their Use To Test and Validate Density Functionals and Molecular Orbital Theory

(2007) Elizabeth A. Amin et al.   Journal of Chemical Theory and Computation