Results 181 to 190 of about 283,044 (258)

BACH, a Bayesian Optimization Protocol for Accurate Coarse‐Grained Parameterization of Organic Liquids

open access: yesAdvanced Functional Materials, EarlyView.
We present a fully automated Bayesian optimization (BO) protocol for the parameterization of nonbonded interactions in coarse‐grain CG force fields (BACH). Using experimental thermophysical data, we apply the protocol to a broad range of liquids, spanning linear, branched, and unsaturated hydrocarbons, esters, triglycerides, and water.
Janak Prabhu   +3 more
wiley   +1 more source

Overview - Apreciación global

open access: yesArte y Políticas de Identidad, 2016
Ruth Mateus-Berr, Michael Hann.
doaj   +2 more sources

Diagnostic accuracy and practicability of the VISITECT<sup>®</sup> advanced HIV disease CD4 test compared to the Partec<sup>®</sup> CyFlow Counter II for CD4 enumeration in Nigeria's HIV program. [PDF]

open access: yesAIDS Res Ther
Nwofe JO   +20 more
europepmc   +1 more source

In‐Situ Solution Complexation for n‐Type Surface‐Energetics Reconstruction in 2.0 eV Ultra‐Wide‐Bandgap Perovskite Solar Cells

open access: yesAdvanced Functional Materials, EarlyView.
A reactive in situ solution complexation strategy reconstructs the surface of 2.0 eV ultra‐wide‐bandgap perovskites via proton transfer. This chemical modulation eliminates metallic defects and induces a degenerate‐like n‐type surface, establishing an Ohmic tunneling contact.
Saemon Yoon   +11 more
wiley   +1 more source

Constructing Ionic Fast Diffusion Channels on LiNi0.5Mn1.5O4 for Lithium‐Ion Batteries

open access: yesAdvanced Functional Materials, EarlyView.
A dual‐modification strategy is developed for LNMO cathode, where bulk Ti doping stabilizes the oxygen framework and simultaneously drives the in situ formation of LaTi2O6 nano‐islands as ion diffusion channels on (111) surfaces, enabling high‐rate capacity (∼100 mAh g−1 at 30 C) and excellent cycling retention (87.8% after 1000 cycles).
Xinyi Zhang   +10 more
wiley   +1 more source

Achieving High ON State Current through Ferroelectric Polarization‐Dependent Interfacial Resistance Switching in Undoped Orthorhombic HfO2 Films

open access: yesAdvanced Functional Materials, EarlyView.
Ferroelectric tunnel junction devices based on epitaxial undoped ferroelectric HfO2 films demonstrate stable switching endurance of over 106 switching cycles, low write voltages of ±3 V, 16 measured resistance states, and neuromorphic capability.
Markus Hellenbrand   +13 more
wiley   +1 more source

Furan‐Substituted Phosphine‐Oxide as an Efficient Interfacial Modifier for Wide‐Bandgap Perovskite Solar Cells

open access: yesAdvanced Functional Materials, EarlyView.
We report phosphine‐oxide interlayers for wide‐bandgap perovskite solar cells, in which tuned P = O Lewis basicity enables selective passivation of buried NiOx/perovskite interfaces and introduces interfacial dipoles that strengthen the built‐in field.
JeeHee Hong   +6 more
wiley   +1 more source

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