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Chemical management for colorful, efficient, and stable inorganic-organic hybrid nanostructured solar cells.
Chemically tuned inorganic-organic hybrid materials, based on CH3NH3(═MA)Pb(I(1-x)Br(x))3 perovskites, have been studied using UV-vis absorption and X-ray diffraction patterns and applied to… Expand
Efficient inorganic–organic hybrid heterojunction solar cells containing perovskite compound and polymeric hole conductors
Inorganic‐organic hybrid structures have become innovative alternatives for next-generation dye-sensitized solar cells, because they combine the advantages of both systems. Here, we introduce a… Expand
Coarse-grained modeling of crystal growth and polymorphism of a model pharmaceutical molecule.
We describe a systematic coarse-graining method to study crystallization and predict possible polymorphs of small organic molecules. In this method, a coarse-grained (CG) force field is obtained by… Expand
Metal complexes of pyrimidine derived ligands – Syntheses, characterization and X-ray crystal structures of Ni(II), Co(III) and Fe(III) complexes of Schiff base ligands derived from S -methyl/ S…
Abstract Two new pyrimidine based NNS tridentate Schiff base ligands S-methyl-3-((2-S-methyl-6-methyl-4-pyrimidyl)methyl)dithiocarbazate [HL1] and… Expand
Efficient Inorganic‐Organic Heterojunction Solar Cells Employing Sb2(Sx/Se1‐x)3 Graded‐Composition Sensitizers
Dr. Y. C. Choi, Dr. Y. H. Lee, Dr. J. H. Noh, Dr. T. N. Mandal, W. S. Yang, Dr. S. I. Seok Division of Advanced Materials Korea Research Institute of Chemical Technology 141 Gajeong-Ro, Yuseong-Gu,… Expand
A framework for multi-scale simulation of crystal growth in the presence of polymers.
- T. Mandal, Wenjun Huang, Jodi M. Mecca, Ashley Getchell, William W Porter, R. Larson
- Chemistry, Medicine
- Soft matter
- 1 March 2017
We present a multi-scale simulation method for modeling crystal growth in the presence of polymer excipients. The method includes a coarse-grained (CG) model for small molecules of known crystal… Expand
Self assembled tetranuclear Cu4(II), Ni4(II) [2 × 2] square grids and a dicopper(II) complex of heterocycle based polytopic ligands - Magnetic studies.
The ditopic ligand PyPzOAP (N-[(Z)-amino(pyridin-2-yl)methylidene]-5-methyl-1-(pyridin-2-yl)-1H-pyrazole-3-carbohydrazonic acid) and the polytopic ligand 2-PzCAP… Expand
Strain induced phase transition in CdSe nanowires: Effect of size and temperature
- T. Mandal
- 12 July 2012
Using all-atom molecular dynamics simulation, we have studied the effect of size and temperature on the strain induced phase transition of wurtzite CdSe nanowires. The wurtzite structure transforms… Expand
Sb(2)Se(3) -sensitized inorganic-organic heterojunction solar cells fabricated using a single-source precursor.
- Y. C. Choi, T. Mandal, +4 authors S. Seok
- Materials Science, Medicine
- Angewandte Chemie
- 27 January 2014
The photovoltaic performance of Sb2 Se3 -sensitized heterojunction solar cells, which were fabricated by a simple deposition of Sb2 Se3 on mesoporous TiO2 by an approach that features multiple cycles… Expand
Engineering Gold Nanoparticle Interaction by PAMAM Dendrimer
Bare faceted gold nanoparticles (AuNPs) have a tendency to aggregate through a preferred attachment of the  surfaces. We have used fully atomistic classical molecular dynamics simulations to… Expand