An “Interface Reactor” strategy boosts simulation stability by 2–3 orders of magnitude, enabling stable 100 ns molecular dynamics of electrode‐electrolyte interfaces. Distinct SEI formation mechanisms are revealed: mixed co‐formation in carbonates versus surface‐energy‐controlled NaF crystallization in ethers. Metadynamics simulations further elucidate
Zhoulin Liu +6 more
wiley +1 more source
Composition-dependent electrochemical energy storage performance of MnO<sub>2</sub>-BaO-ZrO<sub>2</sub> nanocomposites for energy storage applications. [PDF]
Padmadevi B +2 more
europepmc +1 more source
Flat Bands Induced by Non‐Collinear Antiferromagnetism in CoBi2Te4
Flat bands emerge at the edges of intrinsically non‐collinear antiferromagnetic CoBi2Te4 two‐septuple layers through the interplay of spin–orbit coupling–driven band inversion and non‐collinear antiferromagnetism, uncovering a previously unexplored mechanism for flat‐band formation and opening new opportunities for strongly correlated quantum states ...
Ziyuan Zhao +4 more
wiley +1 more source
Synthesis of new rhodanine derivative molecules, their biological properties and sensor applications in environmental samples. [PDF]
Altunoluk OC +4 more
europepmc +1 more source
Graphene iodide oxidation is regulated by Dirac cone engineering. Electrostatic gating tunes the Fermi level to control local iodide oxidation reaction activity, while magic‐angle twisted bilayer graphene creates flat‐band‐derived interfacial states that promote charge transfer and iodine‐species interaction, revealing a nanoscale route to electronic ...
Yang‐Sheng Lu +13 more
wiley +1 more source
Impact of BaO on the gamma-ray shielding performance of lanthanum barium-borate glasses. [PDF]
Sayyed MI, More CV, Hanfi MY, Kamath SD.
europepmc +1 more source
Flexoelectric Suppression of Interfacial Carrier Loss in BaTiO3 Thin‐Film Bulk Photovoltaic Systems
In single‐crystalline BaTiO3 thin films, flexoelectric strain gradients strongly enhance photocurrent by suppressing interfacial carrier loss. Loading experiments reveal a ∼35‐fold photocurrent increase with applied force. Self‐consistent electrostatic modeling shows that strain gradients reshape the interfacial potential landscape, strengthen local ...
Minwoo Jang +5 more
wiley +1 more source
Intracellular vesicle-mediated biomineralization of arsenic and barium by a sponge symbiotic bacterium. [PDF]
Shoham S +7 more
europepmc +1 more source
Neuromodulation strategies are increasingly needed to stimulate, restore, or replace altered neuronal activity in disease. Cobalt ferrite‐barium titanate (CFO–BTO) magnetoelectric nanoparticles convert low‐intensity static magnetic fields into local electrical modulation of cortical networks.
Nathalia Cancino‐Fuentes +13 more
wiley +1 more source
Catalytic Activity of Piezoelectric and Paraelectric BaTiO<sub>3</sub> Nanoparticles. [PDF]
Asadi A +4 more
europepmc +1 more source

