Results 151 to 160 of about 44,395 (299)

Machine Learning Accelerated Computational Design of Bio‐Inspired Catalysts in the Nitrogen Reduction Reaction

open access: yesAdvanced Materials, EarlyView.
We introduce a computational workflow that combines quantum chemical calculations and machine learning techniques to predict the catalytic performance of a wide range of catalysts in the nitrogen reduction reaction (NRR). The analysis of the trained models provides insights into the complex structure–activity relationship in experimental catalytic ...
Leonardo Di Ciano   +5 more
wiley   +1 more source

Geometric frustration in polygons of polariton condensates creating vortices of varying topological charge. [PDF]

open access: yesNat Commun, 2021
Cookson T   +8 more
europepmc   +1 more source

Effects of topological charge in gauge theories

open access: yes, 1971
The author is concerned with the properties of topological charge in gauge theories and the physical effects which can be attributed to its existence. (116 refs)
Crewther, R J
core   +1 more source

Tailoring Phonon‐Driven Responses in α‐MoO3 through Isotopic Enrichment

open access: yesAdvanced Materials, EarlyView.
ABSTRACT The implementation of polaritonic materials into nanoscale devices requires selective tuning of parameters to realize desired spectral or thermal responses. One robust material, α‐MoO3, an orthorhombic crystal boasting three distinct phonon dispersions, provides three polaritonic dispersions of hyperbolic phonon polaritons (HPhPs) across the ...
Thiago S. Arnaud   +31 more
wiley   +1 more source

Improving the topological charge density operator on the lattice

open access: yes, 1996
We analyze the properties of a class of improved lattice topological charge density operators, constructed by a smearing-like procedure. By optimizing the choice of the parameters introduced in their definition, we find operators having (i) a much ...
Giacomo, A. Di   +7 more
core   +1 more source

Double‐Sided Mechanical Interlocking Enables Soft‐Rigid Conductive Interfaces With a Record High Toughness for Flexible Electronics

open access: yesAdvanced Materials, EarlyView.
A double‐sided mechanical interlocking strategy is developed to create robust electrical contact between polymer electrode and metal interconnect. The fibrous structure enables formation of thread–hole adhesion, which only breaks under bulk failure and achieves a record high interfacial energy exceeding 730 J·m−2. This adhesion secures the integrity of
Gang Li   +6 more
wiley   +1 more source

Toward a Unified Mechanistic Understanding of Polymer Electrolytes for Advanced Solid‐State Batteries

open access: yesAdvanced Materials, EarlyView.
Polymer electrolytes (PEs) are often indiscriminately grouped as “solid polymer electrolytes (SPEs)”, despite fundamental differences in their ion‐transport mechanisms. This Perspective establishes a mechanism‐based framework that distinguishes gel, quasi‐solid, and all‐solid polymer electrolytes based on their dominant ion‐transport pathways.
Jing Chen   +15 more
wiley   +1 more source

A Survey of Interlayer Interaction Models for Graphene and Other 2D Materials

open access: yesAdvanced Materials Interfaces, EarlyView.
Van der Waals interactions arising from electronic polarization at atomically close interfaces generate corrugated interlayer energy landscapes that govern normal and tangential tractions. This review presents an overview of quantum, atomistic, analytical, and continuum modeling approaches, highlighting their roles across length scales in capturing ...
Gourav Yadav   +2 more
wiley   +1 more source

Topological insights into black hole thermodynamics: non-extensive entropy in CFT framework

open access: yesEuropean Physical Journal C: Particles and Fields
In this paper, we conducted an in-depth investigation into the thermodynamic topology of Einstein-Gauss-Bonnet black holes within the framework of Conformal Field Theory (CFT), considering the implications of non-extensive entropy formulations. Our study
Mohammad Ali S. Afshar   +3 more
doaj   +1 more source

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