Polarization Dynamics in Ferroelectrics: Insights Enabled by Machine Learning Molecular Dynamics
Machine learning molecular dynamics is presented as a route to capture polarization switching, domain wall kinetics, topological polar textures, and polar mechanical coupling beyond the limits of conventional atomistic methods. This Perspective surveys recent progress and identifies key methodological directions, including long‐range electrostatics ...
Dongyu Bai +3 more
wiley +1 more source
Optoelectronic and photovoltaic assessment of Na<sub>2</sub>ReAlO<sub>6</sub> double perovskite: insights from DFT and SCAPS modeling. [PDF]
Kanwal S +5 more
europepmc +1 more source
Surface‐charged N‐CQDs serve as both electrolyte additives and photocathode modifiers. Electrodeposited N‐CQDs on Cu2O form a stable composite, steering 4e− ORR toward water. A quasi‐solid electrolyte with N‐CQDs aids charge migration, electrode‐electrolyte interfacial compatibility and replenishes active sites.
Yang Wu +12 more
wiley +1 more source
Electronic and optical properties of lead-free K₂AgSbBr₆ double perovskite tuned by doping elements Cu⁺, Bi³⁺, and I⁻. [PDF]
Benlakhdar F +7 more
europepmc +1 more source
Non‐Noble Metal Nanocatalysts for Hydrogen Evolution
Recent overviews and latest developments of diverse classes of non‐noble catalysts for application toward high‐performance photocatalysis, thermocatalytic steam reforming, and electrocatalysis. Toward sustainability objectives, several advanced characterization tools in combination with the latest breakthroughs in machine learning for material ...
Lina Jaya Diguna +7 more
wiley +1 more source
Constructing an S-Scheme Heterojunction of Hematite with an Oxygen-Deficient Double Perovskite Co-Catalyst for Photoelectrochemical Water Splitting. [PDF]
Kim H +5 more
europepmc +1 more source
Halide Perovskite: A Rich Source of Thermal Insulator
Halide perovskites exhibit ultralow thermal conductivity driven by intrinsic lattice softness and strong anharmonicity, falling below conventional defect‐engineering limits. Weak metavalent bonding, A‐site rattling, and dynamic octahedral tilting drive phonon scattering to the Ioffe–Regel limit, where wave‐like tunneling replaces particle‐like ...
Haolin Ye +3 more
wiley +1 more source
First-principles investigation of direct band gap double perovskite halides A<sub>2</sub>AgIrCl<sub>6</sub> (A = Cs, Rb, K) for enhanced photovoltaic performance. [PDF]
Rayhan MA, Hossain MM, Uddin MM, Ali MA.
europepmc +1 more source
Glioma resection surgery is challenging because of the infiltrative growth of the tumor into nearby tissue and the different surgical requirements for gliomas with different mutation types. To improve the precision and effectiveness of glioma resection, this study developed a new imaging probe that enables the tumor boundary and mutation status to be ...
Dongdong Wu +12 more
wiley +1 more source
The fabrication of wide‐bandgap perovskite thin films via green solvents integrated with inkjet printing is developed. Controlled crystallization of the perovskite layer is achieved by optimizing ink formulation and additive engineering, enabling power conversion efficiencies above 17% for single junctions and 28% for perovskite/silicon tandem solar ...
Uma Kousalya Dangudubiyyam +12 more
wiley +1 more source

