Methodological Frameworks for Computational Electrocatalysis: From Theory to Practice
Computational modeling is widely used to investigate electrocatalytic reactions, yet accurately describing electrochemical interfaces remains challenging. This review outlines theoretical and computational strategies, based on density functional theory, to model reaction thermodynamics, solvation effects, applied bias, and kinetics.
Michele Re Fiorentin +8 more
wiley +1 more source
Berry curvature driven transverse thermoelectric generation in topological magnets. [PDF]
Sakai A, Nakatsuji S.
europepmc +1 more source
Ions as Architects of DNA Nanostructures: Mechanisms, Simulations, and Technological Frontiers
Ions are not merely passive electrolytes but active regulators of DNA nanostructures. This review shows how ion valence, hydration, and specificity govern electrostatic screening, correlation, and confinement, enabling DNA origami, metallized DNA, nanopores, hydrogels, DNAzymes, molecular machines, and energy devices through integrated experimental and
Sergiy Perepelytsya +5 more
wiley +1 more source
Advances in Topological Thermoelectrics: Harnessing Quantum Materials for Energy Applications. [PDF]
Yang G +8 more
europepmc +1 more source
Abstract Forest sustainability is regulated by the interplay between water and biochemical fluxes within the soil–tree continuum. However, capturing the daily to seasonal interplay of these ecohydrological and biological processes remains a major challenge.
M. Dumont +8 more
wiley +1 more source
Evidences of topological nodal line semimetal in Mn<sub>3</sub>GaC: Anomalous Hall effect, thermal transport and DFT studies. [PDF]
Gangwar S +3 more
europepmc +1 more source
ABSTRACT This review evaluates pulsed electric fields (PEF) as an emerging platform for single‐cell bioprocessing in food applications. Connections are drawn between key mechanisms in electropermeabilization and applications, and a practical PEF process design framework is provided.
Byron Perez +4 more
wiley +1 more source
Review on modeling theories of electrosensitive hydrogels for cartilage tissue engineering. [PDF]
Farooqi AR, Seitz H, van Rienen U.
europepmc +1 more source
ClC‐2 Contributes to Hypotonicity‐Induced Adrenal Aldosterone Secretion
ABSTRACT Aim The zona glomerulosa (ZG) of the adrenal cortex regulates blood pressure and electrolyte homeostasis through aldosterone production. In ZG cells, potassium and angiotensin II (Ang II) trigger calcium oscillations that drive aldosterone synthesis.
Marina Volkert +3 more
wiley +1 more source
Solid oxide fuel cell simulation model tuning using operating conditions dependent optimization techniques. [PDF]
Hesham H +6 more
europepmc +1 more source

