Results 71 to 80 of about 2,318,291 (294)

Sustainable Synthesis of Bio‐Based Magnetic and Conductive Wood for Electromagnetic Interference Shielding Applications

open access: yesAdvanced Engineering Materials, EarlyView.
A wood‐based magnetic and conductive material called Magwood (MW), capable of blocking almost 99.99% of electromagnetic waves (in the X‐band frequency range), is synthesized using a simple, solvent‐free process. MW is lightweight, resists water, and is flame‐retardant, making it a promising alternative for shielding electronics. The rapid proliferation
Akash Madhav Gondaliya   +3 more
wiley   +1 more source

Theoretical Advances in Polariton Chemistry and Molecular Cavity Quantum Electrodynamics

open access: yesChemical Reviews, 2023
When molecules are coupled to an optical cavity, new light–matter hybrid states, so-called polaritons, are formed due to quantum light–matter interactions.
Arkajit Mandal   +5 more
semanticscholar   +1 more source

Influence of an Argon/Silane Atmosphere on the Temperature of a Thermal Plasma

open access: yesAdvanced Engineering Materials, EarlyView.
The influence of a silane‐doped argon atmosphere on the chemical composition and temperature of a thermal nontransferring argon plasma is investigated using optical emission spectroscopy. As a result of the high amount of free electrons resulting from the stepwise ionization and dissociation of the silane molecule, even a silane addition of 0.01 vol ...
Lena Kreie   +4 more
wiley   +1 more source

Removing Homocoupling Defects in Alkoxy/Alkyl‐PBTTT Enhances Polymer:Fullerene Co‐Crystal Formation and Stability

open access: yesAdvanced Functional Materials, EarlyView.
PBTTT‐OR‐R, a C14‐alkoxy/alkyl‐PBTTT polymer derivative, is of substantial interest for optoelectronics due to its specific fullerene intercalation behavior and enhanced charge‐transfer absorption. Comparing this polymer with (S) and without (O) homocoupling defects reveals that PBTTT‐OR‐R(O) forms stable co‐crystals with PC61BM, while PBTTT‐OR‐R(S ...
Zhen Liu   +14 more
wiley   +1 more source

Quantum computing for molecular vibrational energies: A comprehensive study

open access: yesMaterials Today Quantum
In this work, we present a comprehensive comparative study between two different Ansatz quantum circuits, specifically the Unitary Vibrational Coupled Cluster (UVCC) and the Compact Heuristic Circuit (CHC) with use in computational chemistry.
Somasundaram R.   +3 more
doaj   +1 more source

Learning a Local-Variable Model of Aromatic and Conjugated Systems

open access: yesACS Central Science, 2018
A collection of new approaches to building and training neural networks, collectively referred to as deep learning, are attracting attention in theoretical chemistry.
Matthew K. Matlock   +2 more
doaj   +1 more source

Exploring Dipolar Dynamics and Ionic Transport in Metal‐Organic Frameworks: Experimental and Theoretical Insights

open access: yesAdvanced Functional Materials, EarlyView.
In this study, the interplay of dipolar dynamics and ionic charge transport in MOF compounds is investigated. Synthesizing the novel structure CFA‐25 with integrated freely rotating dipolar groups, local and macroscopic effects, including interactions with Cs cations are explored.
Ralph Freund   +6 more
wiley   +1 more source

Decoding elegant interplay among different stereo-electronic effects due to the ancient prolyl-4-hydroxylation stabilizing collagenous helicity

open access: yesiScience
Summary: Prolyl-4-hydroxylation is an ancient evolutionarily conserved post-translational modification (PTM) critical for both structural and regulatory functions in multicellular life forms. This PTM plays a pivotal role in stabilizing collagen’s triple
Ashutosh Joshi   +2 more
doaj   +1 more source

Qubitization of Arbitrary Basis Quantum Chemistry Leveraging Sparsity and Low Rank Factorization [PDF]

open access: yesQuantum, 2019
Recent work has dramatically reduced the gate complexity required to quantum simulate chemistry by using linear combinations of unitaries based methods to exploit structure in the plane wave basis Coulomb operator.
D. Berry   +4 more
semanticscholar   +1 more source

Unique Performance Considerations for Printable Organic Semiconductor and Perovskite Radiation Detectors: Toward Consensus on Best Practice Evaluation

open access: yesAdvanced Functional Materials, EarlyView.
A lack of standard approaches for testing and reporting the performance of metal halide perovskites and organic semiconductor radiation detectors has resulted in inconsistent interpretation of performance parameters, impeding progress in the field. This Perspective recommends key metrics and experimental details, which are suggested for reporting in ...
Jessie A. Posar   +8 more
wiley   +1 more source

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