Results 181 to 190 of about 926 (266)

Predicting Infrared Optical Properties of Materials Using Machine Learning Interatomic Potentials

open access: yesMaterials Genome Engineering Advances, EarlyView.
This work proposes a new fast computing framework for infrared reflectance spectra, MTP‐FIRE, based on machine learning potential, which can achieve the same accuracy as the existing first‐principles calculation, but can be two orders of magnitude faster on average.
Lianduan Zeng   +8 more
wiley   +1 more source

DFT-Based Functionalization of Graphene with Lithium-Modified Groups for Enhanced Hydrogen Detection: Thermodynamic, Electronic, and Spectroscopic Properties. [PDF]

open access: yesNanomaterials (Basel)
Rangel-Vázquez NA   +5 more
europepmc   +1 more source

Anisotropy Analysis of Bamboo and Tooth Using 4‐Angle Polarization Micro‐Spectroscopy

open access: yesNano Select, EarlyView.
Super‐resolution via orientation: spatial distribution of specific molecular vibrations are revealed at 1/20 of the diffraction limit. ABSTRACT To investigate the anisotropic properties of biomaterials, two distinct classes are considered as follows: polymer‐based (cellulose in plants) and crystalline‐based (enamel in teeth), each demonstrating ...
Meguya Ryu   +8 more
wiley   +1 more source

Enhancing the Chemical Reactivity of Graphene through Substrate Engineering

open access: yesSmall, EarlyView.
This review highlights methods to enhance the reactivity of graphene through substrate engineering, focusing on strain and charge doping. Strains induced by nanoparticles, metal crystal orientations, or stretchable polymers increase the reactivity of graphene.
Jia Tu, Mingdi Yan
wiley   +1 more source

Structure‐Property‐Application Correlations of Early Transition Metal Chalcogenides: A Dichalcogenide‐Centered Perspective

open access: yesSmall, EarlyView.
ETM‐based chalcogenides exhibit rich structural diversity and tunable electronic and catalytic properties. This review critically summarizes structure–property–application relationships in ETM‐based chalcogenides, highlighting recent advances in electronic devices, electrocatalysis, and energy‐related applications, while outlining key challenges and ...
Sachin Jaidka   +6 more
wiley   +1 more source

Time-Delay Cosmography: Measuring the Hubble Constant and Other Cosmological Parameters with Strong Gravitational Lensing. [PDF]

open access: yesSpace Sci Rev
Birrer S   +8 more
europepmc   +1 more source

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