Results 191 to 200 of about 5,171,280 (369)

Studying chemical vapor deposition processes with theoretical chemistry

open access: yesTheoretical Chemistry accounts, 2014
H. Pedersen, S. Elliott
semanticscholar   +1 more source

Computational and Theoretical Chemistry [PDF]

open access: yesAccounts of Chemical Research, 2006
Emily A. Carter, Peter J. Rossky
openaire   +1 more source

Laboratory‐Scale Procedure for Evaluating the Flux Efficiency on Melt Cleanliness and Tensile Properties of Recycled Aluminum Alloys

open access: yesAdvanced Engineering Materials, EarlyView.
A laboratory‐scale procedure is developed to evaluate the efficiency of melt‐cleaning and drossing fluxes during aluminium alloy recycling, studying their effects on melt cleanliness and tensile properties of secondary foundry alloys. This work provides a practical tool for foundries and aluminium refiners to assess the efficiency of salt fluxes in ...
Veronica Milani, Giulio Timelli
wiley   +1 more source

Mechanical Properties of Different Austenitic High‐Nitrogen Steel Grades Produced by Powder Mixtures

open access: yesAdvanced Engineering Materials, Volume 27, Issue 14, July 2025.
The effect of nitrogen content on the mechanical properties of austenitic stainless steels is investigated using tailored powder metallurgical processing. Different PM routes, including additive manufacturing, enable controlled nitrogen uptake and complex geometries.
Felix Radtke   +6 more
wiley   +1 more source

Efficient and Scalable Radiative Cooling for Photovoltaics Using Solution‐Processable and Solar‐Transparent Mesoporous Nanoparticles

open access: yesAdvanced Functional Materials, EarlyView.
Graded refractive index (GRI) structures are prepared from the layer‐by‐layer spray coating of the mesoporous SiO2 nanoparticles, showing high solar transparency and thermal emissivity. Under outdoor conditions, after 50 days, the GRI‐coated photovoltaics show on average 6.65 ± 1.48 °C lower than that of the non‐coated references, maintaining 80.9 ± 8 ...
Heesuk Jung   +14 more
wiley   +1 more source

Quantum chemical determination of molecular geometries and spectral investigation of 4-ethoxy-2, 3-difluoro benzamide

open access: yesHeliyon, 2019
The present work reports the application of density functional theory (DFT) at B3LYP with various basis sets which provide the relationship between the structural and spectral properties of 4-ethoxy-2, 3-difluoro benzamide (4EDFB). A Complete vibrational
V. Vidhya, A. Austine, M. Arivazhagan
doaj  

Stabilized Intermediate Phase Via Pseudo‐Halide Anions Toward Highly Efficient and Light‐Soaking Stable Perovskite Solar Cells

open access: yesAdvanced Functional Materials, Volume 35, Issue 12, March 18, 2025.
The formate pseudo‐halide anion is strategically introduced at the buried interface to stabilize the intermediate phases formed during perovskite crystallization. The controlled crystallization enhances crystallinity and alleviates tensile strain, eliminating residual PbI2 near the buried interface.
Jongdeuk Seo   +12 more
wiley   +1 more source

Detailed quantum mechanical, molecular docking, QSAR prediction, photovoltaic light harvesting efficiency analysis of benzil and its halogenated analogues

open access: yesHeliyon, 2019
The structural, spectroscopic various physico-chemical and biological characteristics of the organic molecule benzil (BZL) and derivatives, 1,2-bis(4-methylphneyl)-1,2-ethanedione (DMB), 4,4′-difluorobenzil (DFB), 4,4′-dichlorobenzil (DCB) and 4,4 ...
Y. Shyma Mary   +5 more
doaj  

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