Biological light-harvesting systems are pigment–protein assemblies with diverse structures that inspire design principles for bio-inspired and sustainable energy materials. This computational study examines the structural organization of phycocyanobilin-containing pigment–protein assemblies using protein structure-prediction tools such as AlphaFold and ESMFold, and time-dependent density functional theory calculations to evaluate the UV–Vis absorption features of the open-chain chromophore. While experimentally available phycobiliprotein (pigment–protein complex) structures were used as reference systems for comparing predicted protein scaffold patterns, neutral pigment models were assessed in implicit solvent environments. The results underscore structural similarities in protein scaffolds and distinct pigment spectroscopic fingerprints in implicit dielectric environments that, to some extent, approximate protein-like surroundings, supporting systems-chemistry approaches for elucidating chromophore-level spectral characteristics and the structural design of photo-responsive soft materials.
This study proposes a novel channel probing method to extract contact resistance in Organic Thin-Film Transistors using dual floating electrodes integrated into the device structure. Accurate extraction of contact resistance is essential because it strongly affects charge injection, carrier transport, and overall device performance. Conventional techniques often require complex mathematical analysis, multiple device geometries, or invasive probing within the channel region, which can disturb intrinsic electrical characteristics. In contrast, the proposed method provides a simpler, less intrusive, and more efficient alternative for determining contact resistance. The extraction approach considers critical parameters such as work function, temperature, trap density, mobility enhancement factor, bulk mobility, and channel mobility. These factors significantly influence the metal–semiconductor interface and carrier injection efficiency. TCAD simulations are employed to systematically analyze the impact of these parameters on contact resistance. The obtained results are validated using a conventional extraction method for accuracy. a Schematic representation of energy band diagram at equilibrium and b energy band diagram that represents the work function of metal (gold) and HOMO and LUMO levels of semiconductor (pentacene) at non-equilibrium conditions.
Low-carbon transformation-induced plasticity (TRIP) steels optimize energy absorption in the automotive sector through the strain-induced transformation of retained austenite into martensite. This study evaluates microstructural evolution and transformation kinetics under uniaxial compression in three C–Mn–Al–Si alloys. Through intercritical annealing and isothermal heat treatment, a multiphase matrix containing over 30
