Results 221 to 230 of about 1,462,756 (253)

Restoring Symmetry and Enhancing Exchange via Chiral Molecular-Magnetic Hexagons. [PDF]

J Phys Chem A
Pederson MR, Hooshmand Z, Zhang D, Islam MF, Withanage KPK.   +4 more
europepmc   +1 more source

Synergistic Spin‐Polarization and Single‐Atom Engineering in Magnetic Heterojunctions for Efficient Solar Water Splitting

Advanced Science, EarlyView.
High‐throughput screening led to the identification of 67 Z‐scheme heterojunctions (comprising 2D magnetic transition metal halides and non‐magnetic transition metal chalcogenides). For CrI3/MoTe2 and CrI3/WTe2, electronic structure analysis demonstrated that synergistic crystallographic point group and built‐in electric field effects generate a ...
Hongyang Ren, Zhenzhou Guo, Huirong Wu, Peilin Huang, Jie Yang, Jie Zhang, Guangqian Ding, Hongkuan Yuan, Biao Wang   +8 more
wiley   +1 more source

Switching Site Selectivity in Alkoxyamine Hydration: From Lone-Pair Direction to Solvent Network Dominance. [PDF]

J Am Chem Soc
Baroncelli F, Evangelisti L, López JC, Blanco S, Maris A, Melandri S.   +5 more
europepmc   +1 more source

Polymorphic Superparaelectric Engineering Boosting Energy Storage Capacity in BaTiO3‐Based Ceramics

Advanced Science, EarlyView.
Herein, Ca2+ incorporation promotes the coexistence of CaTiO3‐/BaTiO3‐derived paraferroelectric states, stabilizing cubic‐orthorhombic‐tetragonal polymorphic superparaelectric phases. This minimizes polarization energy barriers, facilitating full polarization saturation without compromising efficiency.
Pan Liu, Xiang Ren, Jin Qian, Haihua Huang, Peng Li, Peng Fu, Jigong Hao, Huarong Zeng, Wei Li, Zhenxiang Cheng   +9 more
wiley   +1 more source

Impact of Linker Defects on the Dielectric Properties of the Metal-Organic Framework HKUST-1: Insights from Molecular Dynamics Simulations. [PDF]

ACS Appl Mater Interfaces
Wang Y, Macchi P.
europepmc   +1 more source

Magnetoelectric Nanoparticle‐Based Wireless Brain–Computer Interface: Underlying Physics and Projected Technology Pathway

Advanced Science, EarlyView.
Magnetoelectric nanoparticles (MENPs) enable fully wireless, minutely invasive neuromodulation, and potentially neural recording, by converting magnetic into electric and, conversely, electric into magnetic fields, respectively, at high spatiotemporal resolution.
Elric Zhang, Max Shotbolt, Mostafa Abdel‐Mottaleb, Shawnus Chen, Victoria Andre, Jieyuan Tian, Jonathan Shulgach, Max Murphy, Brian Noga, Ping Liang, Darcy Griffin, Douglas Weber, Marta Pardo, Salvador Pane, Sakhrat Khizroev   +14 more
wiley   +1 more source

Vibrational circular dichroism enhancement in conformationally flexible transition metal complexes.

Phys Chem Chem Phys
Sapova M, de Boer M, Buma WJ, Visscher L.   +3 more
europepmc   +1 more source

Photoinduced Accumulative Electron-Transfer Dynamics in Perylene Diimide Polymers as Photoredox Catalysts. [PDF]

JACS Au
Situ Z, Li X, Qiao YX, Yang C, Chen Y, Tang M, Li Y, Wan Y, Song H, Tong QX, Jian JX, Kuang Z.   +11 more
europepmc   +1 more source

Parallel alignment of electric and magnetic transition dipole moments in chiral additives can boost the oxygen evolution reaction. [PDF]

Commun Chem
Portela-Pino J, Amorim I, Chiussi S, Salonen LM, Ozcelik A, Aranda D, Uusitalo J, Peña-Gallego Á, Santoro F, Kolen'ko YV, Alonso-Gómez JL.   +10 more
europepmc   +1 more source

Analytic Nuclear Gradients Including Oriented External Electric Fields in a Molecule-Fixed Frame. [PDF]

J Chem Theory Comput
Lai DA, Matthews DA.
europepmc   +1 more source