Results 101 to 110 of about 304,445 (275)
Phononic heat transport in molecular junctions: quantum effects and vibrational mismatch
, 2018 Problems of heat transport are ubiquitous to various technologies such as power generation, cooling, electronics, and thermoelectrics. In this paper we advocate for the application of the quantum self-consistent reservoir method, which is based on the ...
Fereidani, Roya Moghaddasi, Segal, Dvira
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Additive Gaussian Process Regression for Predictive Design of High‐Performance, Printable Silicones
Advanced Engineering Materials, EarlyView.A chemistry‐aware design framework for tuning printable polydimethylsiloxane (PDMS) for vat photopolymerization (VPP) is developed using additive Gaussian process (GP) modeling. Polymer network mechanics informs variable groupings, feasible formulation constraints, and interaction variables.
Roxana Carbonell +3 more
wiley +1 more source
Nucleophilicity/Electrophilicity Excess in Analyzing Molecular Electronics
, 2005 Intramolecular electron transfer capability of all metal aromatic and anti-aromatic aluminum cluster compounds is studied in terms of density functional theory based global and local reactivity descriptors.
Chattaraj, P. K. +2 more
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Advanced Engineering Materials, EarlyView.The wettability of aluminum droplets (Al) on different copper substrates (Cu), where liquid Al spreads on solid Cu surfaces to form a liquid–solid interface, is studied numerically and experimentally. The experimental and numerical results show good agreement in the fast‐spreading regime.
Shan Lyu +8 more
wiley +1 more source
Lyotropic chromonic liquid crystal semiconductors for water-solution processable organic electronics
, 2010 We propose lyotropic chromonic liquid crystals (LCLCs) as a distinct class of materials for organic electronics. In water, the chromonic molecules stack on top of each other into elongated aggregates that form orientationally ordered phases.
Anisimov, M. I. +6 more
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Advanced Engineering Materials, EarlyView.EDX elemental map of the pre‐oxidized MgO–steel cermet anode cross section after electrolysis. The development of inert anodes for aluminum electrolysis remains challenging due to the high corrosivity of cryolite‐based melts at 950°C–1000°C. This study investigates the corrosion and process behavior of a carbon‐free MgO–steel cermet anode derived from ...
Alexander Adamczyk +7 more
wiley +1 more source
Structural Aspects of Porphyrins for Functional Materials Applications
Crystals, 2017 Porphyrinic compounds comprise a diverse group of materials which have in common the presence of one or more cyclic tetrapyrroles known as porphyrins in their molecular structures.
Lawrence P. Cook +2 more
doaj +1 more source
Rotaxane nanomachines in future molecular electronics. [PDF]
Nanoscale Adv, 2022 Wu P, Dharmadhikari B, Patra P, Xiong X.
europepmc +1 more source
Fast Ultrahigh-Density Writing of Low Conductivity Patterns on Semiconducting Polymers
, 2013 The exceptional interest in improving the limitations of data storage, molecular electronics, and optoelectronics has promoted the development of an ever increasing number of techniques used to pattern polymers at micro and nanoscale.
di Donato, Andrea +8 more
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Towards Defect Phase Diagrams: From Research Data Management to Automated Workflows
Advanced Engineering Materials, EarlyView.A research data management infrastructure is presented for the systematic integration of heterogeneous experimental and simulation data required for defect phase diagrams. The approach combines openBIS with a companion application for large‐object storage, automated metadata extraction, provenance tracking and federated data access, thereby supporting ...
Khalil Rejiba +5 more
wiley +1 more source