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Surface enhanced Raman scattering (SERS) in nanoscale hotspots has been placed great hopes upon for identification of minimum chemical traces and in-situ investigation of single molecule structures and dynamics. However, previous work…
We present an exhaustive study of more than 250 ab initio potential energy surfaces (PESs) of the model dipeptide HCO-L-Ala-NH2. The model chemistries (MCs) used are constructed as homo- and heterolevels involving possibly different RHF and…
{\it Surface-directed spinodal decomposition} (SDSD) is the kinetic interplay of phase separation and wetting at a surface. This process is of great scientific and technological importance. In this paper, we report results from a numerical…
STEP (Solar Thermal Electrochemical Production) is an alternative solar energy conversion process. New and original, unpublished STEP results are compared with other STEP results. The STEP process uses semiconductors, solar energy and…
The release of hydrophilic solutes from micron scale particulate formulations can be understood as an interfacial transport problem in which diffusion across a heterogeneous amphiphilic coating competes with dissolution and convective…
Over the past decade, the field of high-entropy ceramics (HECs) has expanded rapidly to encompass a broad range of oxides, borides, silicides, and other ceramic solid solutions. In 2020, we proposed extending HECs to compositionally complex…
Many materials containing colloids or polymers are polydisperse: They comprise particles with properties (such as particle diameter, charge, or polymer chain length) that depend continuously on one or several parameters. This review…
The argyrodite sulfides are getting more and more attractive as highly promising solid-state electrolytes (SSEs) for high-performance all-solid-state batteries (ASSBs), owing to their high ionic conductivity, adequate plasticity, and decent…
Polyelectrolyte (PE) brushes have ubiquitous applications as surface modifiers which regulate various structural and dynamic properties. Here, we apply a continuous-space self-consistent field theory to study the structural heterogeneity in…
Dynamic surface-enhanced Raman spectroscopy (SERS) is nowadays one of the most interesting applications of SERS, in particular for single molecule studies. In fact, it enables the study of real-time processes at the molecular level. This…
Micro and/or Nano sized emulsions are formed when an organic liquid gently comes in contact with water in the presence of a surfactant, where no external agitation is required. Many years of research made it clear that the driving force for…
Soft materials with a liquid component are an emerging paradigm in materials design. The incorporation of a liquid phase, such as water, liquid metals, or complex fluids, into solid materials imparts unique properties and characteristics…
Most paints contain pigments that absorb light and fade over time. A robust alternative can be found in nature, where structural coloration arises from the interference of light with submicron features. Plant-derived, cellulose nanocrystals…
We investigated the effect of surfactants on an interface between two kinds of liquid by molecular dynamics simulation. We adopted the simple bead-spring model with two atoms as the surfactants. We controlled the interfacial tension of the…
Understanding the atomic level interactions and the resulting structural characteristics is required for developing beta-cyclodextrin ($\beta$CD) derivatives for pharmaceutical and other applications. The effect of four different solvents…
Silica nanoparticles have emerged as key building blocks for advanced applications in electronics, catalysis, energy storage, biomedicine, and environmental science. In this review, we focus on recent developments in both the synthesis and…
Hypothesis: By combining the experimental small- and wide-angle x-ray scattering (SWAXS) method with molecular dynamics simulations and the theoretical 'complemented-system approach' it is possible to obtain detailed information about the…
Surface Enhanced Raman Scattering (SERS) and Surface-Enhanced Fluorescence (SEF) are studied within the framework of modified Spontaneous Emission (SE), and similarities and differences are highlighted. This description sheds new light into…
Ag nanorod arrays/dielectrics/mirror-structured multilayer thin-film are well known, highly sensitive surface-enhanced Raman scattering (SERS) substrates that enhance the Raman scattering cross-section by the interference of light. However,…
Bulk electrochemical phase transitions (EPTs) are the cornerstone of most modern electro-chemical technologies, underlying many energy storage and electrocatalytic systems. Nonetheless, the fundamental mechanisms governing EPTs in…