Results 191 to 200 of about 131,990 (294)

Predicting Atomic Charges in MOFs by Topological Charge Equilibration

open access: yesAdvanced Functional Materials, EarlyView.
An atomic charge prediction method is presented that is able to accurately reproduce ab‐initio‐derived reference charges for a large number of metal–organic frameworks. Based on a topological charge equilibration scheme, static charges that fulfill overall neutrality are quickly generated.
Babak Farhadi Jahromi   +2 more
wiley   +1 more source

Comparative entropy analysis of 2D transition metal tetrahydroxyquinones via machine learning approaches. [PDF]

open access: yesSci Rep
Irfan M   +5 more
europepmc   +1 more source

Surface Diffusion in SnTe‐PbTe Monolayer Lateral Heterostructures

open access: yesAdvanced Functional Materials, EarlyView.
The lateral heterostructures between 2D materials often suffer from the interdiffusion at the interfaces. Here, a surface diffusion mechanism is found to be dominating at the interfaces between semiconducting SnTe and PbTe monolayers. Atomically sharp interfaces can be achieved by suppressing this diffusion process. ABSTRACT The construction of complex
Jing‐Rong Ji   +9 more
wiley   +1 more source

Domain Wall Rebounds Driven by Competing Entropic and Spin‐Transfer Torques in Cylindrical Nanowires

open access: yesAdvanced Functional Materials, EarlyView.
Domain‐wall motion in cylindrical magnetic nanowires driven by nanosecond current pulses. Low current densities efficiently displace domain walls, whereas higher currents cause rebound at the wire ends. The effect results from the interplay between spin‐transfer torque and thermally induced processes, highlighting the role of thermal gradients in ...
Elias Saugar   +11 more
wiley   +1 more source

High Entropy Wide‐Bandgap Borates with Broadband Luminescence and Large Nonlinear Optical properties

open access: yesAdvanced Functional Materials, EarlyView.
High‐entropy rare‐earth borates exhibit excellent nonlinear optical and broadband luminescence properties arising from multi‐component doping, chemical disorder, increased configurational entropy, and increased lattice and electronic anharmonicity. This formulation enabled us to obtain a large, environmentally stable single crystal with 3X higher laser‐
Saugata Sarker   +14 more
wiley   +1 more source

Single-station analysis of Campi Flegrei (Italy) seismic signals using multiscale entropy and unsupervised learning. [PDF]

open access: yesSci Rep
Grimaldi A   +9 more
europepmc   +1 more source

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