Results 101 to 110 of about 35,918 (305)
Un método para enseñar el porqué suceden las reacciones químicas
Química Nova, 2013 A methodology is proposed for explaining one of the central questions in the teaching of general chemistry courses to freshman students: why do chemical transformations occur? The answer to this question is based on thermodynamics but we propose arriving
Victor A. López-Agudelo +2 more
doaj +1 more source
Thermodynamics of Water and Ice from a Fast and Scalable First-Principles Neuroevolution Potential
, 2023 Machine learning potentials enable molecular dynamics simulations to exceed the size and time scales that can be accessed by first-principles methods like density functional theory, while still maintaining the accuracy of the underlying training dataset.
Margaret L., Berrens +4 more
core +1 more source
Advanced Functional Materials, EarlyView.A room‐temperature aerosol deposition process yields multiphase nano‐clustered dielectric capacitors containing discrete BaTiO3, PbZrO3, and PbTiO3 crystals. This architecture creates three‐dimensional heterointerfaces that induce interfacial charge trapping and effectively inhibit breakdown propagation.
Hyunseok Song +8 more
wiley +1 more source
A review of computational tools for design and reconstruction of metabolic pathways
Synthetic and Systems Biotechnology, 2017 Metabolic pathways reflect an organism's chemical repertoire and hence their elucidation and design have been a primary goal in metabolic engineering. Various computational methods have been developed to design novel metabolic pathways while taking into ...
Lin Wang +3 more
doaj +1 more source
Advanced Functional Materials, EarlyView.This study highlights the integration of stable two‐dimensional covalent organic framework (COF) films as photoactive layers in hybrid nanoenergy devices. The results demonstrate their capacity to generate electricity under both sunny and rainy conditions, showcasing versatility and resilience.
Joab D. Guerrero +13 more
wiley +1 more source
Toward Fast Proton Shuttling in Acidic Oxygen Evolution Reaction
Advanced Functional Materials, EarlyView.This review establishes proton transfer dynamics as a descriptor governing acidic OER activity, moving beyond the kinetic constraints derived from the proton coupled electron transfer. We discuss how deprotonation governs classical mechanisms, including adsorbate evolution mechanism (AEM), lattice oxygen mechanism (LOM) and oxide path mechanism (OPM ...
Ashish Gaur +3 more
wiley +1 more source
Computational Study of Mechanism and Thermodynamics of Ni/IPr-Catalyzed Amidation of Esters
Molecules, 2018 Nickel catalysis has shown remarkable potential in amide C–N bond activation and functionalization. Particularly for the transformation between ester and amide, nickel catalysis has realized both the forward (ester to amide) and reverse (amide to ...
Chong-Lei Ji, Pei-Pei Xie, Xin Hong
doaj +1 more source
Advanced Functional Materials, EarlyView.An architecture‐enabled bottom‐heated 3D solar convective evaporator spatially decouples photothermal heating from evaporation, triggering natural convection that intensifies sidewall vapour removal and heat transfer. The system achieves significantly enhanced evaporation rates over 2D and conventional 3D designs while confining salt precipitation to ...
Xiaolong Ma +7 more
wiley +1 more source
Thermodynamics and kinetics of boundary friction [PDF]
, 2011 A deterministic theory describing the behavior of an ultrathin lubricant film between two atomically-smooth solid surfaces is proposed. For the description of lubricant state the parameter of excess volume arising due to chaotization of solid medium ...
Metlov, L.S. +6 more
core
Advanced Functional Materials, EarlyView.A reconfigurable RRAM platform utilizing thermally pre‐formed filaments (TPFs) is developed to realize robust hardware security. By exploiting the thermodynamic stochasticity of TPFs, exceptionally reliable physically unclonable functions (PUFs) are achieved.
Seongbin Kwon +4 more
wiley +1 more source