A5013805273- Organic Electronics and Photovoltaics
- Conducting polymers and applications
- Biotin and Related Studies
- Organic and Molecular Conductors Research
- Machine Learning in Materials Science
- Bacterial Genetics and Biotechnology
- Organic Light-Emitting Diodes Research
- Nonlinear Optical Materials Research
- Crystallography and molecular interactions
- Semiconductor materials and interfaces
- Molecular Junctions and Nanostructures
- Crystallization and Solubility Studies
- Advanced Physical and Chemical Molecular Interactions
- Polymer crystallization and properties
- Amino Acid Enzymes and Metabolism
University of Arizona
2023-2025
University of Kentucky
2021-2023
Abstract A systematic study of the polymorphs emerging in P(NDI2OD‐T2) (also commercially known as N2200), a prototypical organic semiconducting n‐type polymer, is presented. Using tightly integrated experimental and computational approach, detailed atomistic‐level descriptions are provided investigating three observed at room temperature function thin‐film processing. Importantly, over course work, missing link uncovered, fourth polymorph referred to here Form I‐𝜷 ; this new form...
Conjugated polymers composed of alternating electron donor and acceptor segments have come to dominate the materials being considered for organic photoelectrodes solar cells, in large part because their favorable near-infrared absorption. The prototypical electron-transporting push–pull polymer poly(NDI2OD-T2) (N2200) is one such material. While reasonably efficient cells can be fabricated with N2200 as acceptor, it generally fails contribute much photocurrent from its absorption bands which...
Hybrid (photo-) cathodes consisted of conjugated polymer and hydrogen evolution reaction (HER) co-catalysts are an emerging platform for low-cost solar fuels generation. The electron-accepting Poly{[N,N′-bis(2-octyldodecyl)-naphthalene-1,4,5,8-bis(dicarboximide)-2,6-diyl]-alt-5,5′-(2,2′bithiophene)}, known as P(NDI2OD-T2) or N2200, is a promising material to serve cathode the electron acceptor bulk heterojunction photocathodes. Unlike inorganic semiconductor/metal junctions, much less about...
The modern picture of negative charge carriers on conjugated polymers invokes the formation a singly occupied (spin-up/spin-down) level within polymer gap and corresponding unoccupied above conduction band edge. energy splitting between these sublevels is related to on-site Coulomb interactions electrons, commonly termed Hubbard U. However, spectral evidence for both experimental access U value still missing. Here, we provide by n-doping P(NDI2OD-T2) with [RhCp*Cp]2, [N-DMBI]2, cesium....
The extrinsic properties of organic semiconductors (OSC) are connected both to local and long-range thin-film morphologies. While it is desirable synthetically regulate OSC solid-state structure, there remains limited understanding the rich complex relationships among molecular structure chromophores that comprise functional parameters processing environment (e.g., solvent, solution composition, temperature), each which will impact final characteristics. Here, we interested in exploring how...
A priori control over crystallization, whether one attempts to induce or prevent is critical across many areas of materials chemistry. The capacity regulate crystallization in solution requires a comprehensive understanding the deceivingly simple interrelationships among chemical compositions and structures solute solvent external environmental parameters such as temperature pressure. While there have been tremendous advances crystal structure prediction based solely on composition molecular...
Antibiotic resistance is a major public health concern. The shrinking selection of effective antibiotics and lack new development making the situation worse. Gram-negative bacteria more specifically pose serious threat because their double layered cell envelope efflux systems, which challenge for drugs to penetrate. One promising approach breach this barrier “Trojan horse strategy”. In technique, an antibiotic molecule conjugated with nutrient that helps enter through dedicated transporters...
An approach that combines atomistic molecular dynamics simulations and graph characterization is developed deployed to follow the growth of organic crystals from melt.