Results 61 to 70 of about 49,182 (344)
, 2004 We study a calcium aluminosilicate glass of composition (SiO$_2$)$_{0.67}$-(Al$_2$O$_3$)$_{0.12}$-(CaO)$_{0.21}$ by means of molecular-dynamics (MD) simulations, using a potential made of two-body and three-body interactions.
Angeli F. +9 more
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Symmetry is the Key to the Design of Reticular Frameworks
Advanced Materials, EarlyView.Computational prediction of the molecular structure of porous materials, particularly reticular framework materials such as MOFs and COFs, remains a significant challenge. Considering the symmetry of the building blocks that form the desired material, and a similarity score with existing experimentally characterized structures, helps identify promising
Andrea Darù +3 more
wiley +1 more source
Crystals, 2020 An organic supramolecular salt hydrate (imidazolium:N-phthalolylglycinate:H2O; IM+-NPG−-HYD) has been examined for its charge-transfer (CT) characteristics. Accordingly, IM+−NPG−−HYD has been characterized thoroughly using various
Mohammad Usman +4 more
doaj +1 more source
High Performance P‐Channel Transistor Based on Amorphous Tellurium Trioxide
Advanced Materials, EarlyView.This study introduces a breakthrough in p‐channel transistors by transforming crystalline 2D tellurium into amorphous tellurium trioxide (a‐TeO3) via UV‐O3 treatment. This transformation enhances electronic properties, resulting in transistors with reduced hysteresis, superior on/off characteristics, and low barrier height, highlighting the potential ...
Seungho Bang +10 more
wiley +1 more source
, 2011 The structure around oxygen atoms of four silicate liquids (silica, rhyolite, a model basalt and enstatite) is evaluated by ab initio molecular dynamics simulation.
Alfè +62 more
core +1 more source
LiNbO3 Coatings on NCM622: Structure and Performance Insights
Advanced Materials Interfaces, EarlyView.The amorphous structure of LiNbO3 coatings on LiNi0.6Co0.2Mn0.2O2 (NCM622) cathode active material is systematically investigated by scanning transmission electron microscopy. Theoretical simulations provide insight into the origin of structural transformations observed in the coating at lower calcination temperatures.
Johannes Haust +13 more
wiley +1 more source
Carbon Speciation and Solubility in Silicate Melts
Geophysical Monograph Series, Page 179-194., 2020 This book is Open Access. A digital copy can be downloaded for free from Wiley Online Library.
Explores the behavior of carbon in minerals, melts, and fluids under extreme conditions
Carbon trapped in diamonds and carbonate-bearing rocks in subduction zones are examples of the continuing exchange of substantial carbon ...
Natalia Solomatova +2 more
wiley +2 more sources
Results in Engineering, 2022 In this study, four different sites of ponds at different time period were analysed to show to the effect of Nanobubble ozonation (NBO). NBO is one of novel technologies which is environmentally friendly only using air, ozone, and requiring virtually no ...
Preeti Pal +2 more
doaj +1 more source
Evaluation and Characterization of SEI Composition in Lithium Metal and Anode‐Free Lithium Batteries
Advanced Energy Materials, EarlyView.This article emphasizes the pivotal role of solid electrolyte interphase (SEI) stability in enhancing the performance of lithium‐metal and anode‐free batteries. It illustrates how innovative additives, fluorinated electrolytes, and in situ methods improve SEI conductivity, durability, and its development under real‐world conditions.
Karthik Vishweswariah +5 more
wiley +1 more source
The reaction of slag in cement: theory and computer modelling [PDF]
, 2006 In this study, theoretical models available for the reaction of both pure slag\ud (alkali-activated) and slag-blended cement are reviewed.
Brouwers, H.J.H., Chen, W.
core +1 more source