Results 161 to 170 of about 61,443 (266)

Q-Factor Optimization of Modes in Ordered and Disordered Photonic Systems Using Non-Hermitian Perturbation Theory. [PDF]

ACS Photonics, 2023
Granchi N, Intonti F, Florescu M, García PD, Gurioli M, Arregui G.   +5 more
europepmc   +1 more source

Glissile Interphase Boundaries Enable Collective Phase Switching in Epitaxial Polar Oxides

Advanced Functional Materials, EarlyView.
A triple point is identified in the phase diagram of low‐symmetry epitaxial BiFeO3 thin film along with an extended regime of phase competition associated with a flattened energy landscape. The electromechanical response is shown to be governed by correlated interphase‐boundary motion, including scale‐free avalanche dynamics characteristic of systems ...
Mohammad Moein Seyfouri, Oliver Paull, Ralph Bulanadi, Yasuhiro Sakamoto, Shintaro Yasui, Mikayla Lord, Mahak Chhabra, David Walker, Patrycja Paruch, Shery Chang, Nagarajan Valanoor, Daniel Sando   +11 more
wiley   +1 more source

Analytical Derivatives of Symmetry-Adapted Perturbation Theory Corrections for Interaction-Induced Properties. [PDF]

J Chem Theory Comput
Tyrcha B, Gupta T, Patkowski K, Żuchowski PS.   +3 more
europepmc   +1 more source

Demonstrating Vibrational Current Generation With a Self‐Assembled Bioelectret

Advanced Functional Materials, EarlyView.
Vacuum‐deposited films of the plant‐derived molecule, Baicalein, form a self‐assembled bioelectret exhibiting spontaneous orientation polarization and a giant surface potential. The films induce alternating current during the vibration of a movable electrode without charging treatments. Hydrocarbon protection enhances the air stability of the Baicalein
Kouki Akaike, Yukihiro Shimoi, Qingshuo Wei, Yutaro Ono, Satomi Hosono, Yoichi Yamada, Haruhisa Akiyama, Shunsuke Tanaka   +7 more
wiley   +1 more source

Random Phase Approximation Correlation Energy Using Real-Space Density Functional Perturbation Theory. [PDF]

J Chem Theory Comput
Zhang B, Shah S, Pask JE, Chow E, Suryanarayana P.   +4 more
europepmc   +1 more source

An Effective and Automated Processing of Resonances in Vibrational Perturbation Theory Applied to Spectroscopy. [PDF]

J Phys Chem A, 2022
Yang Q, Bloino J.
europepmc   +1 more source

From Photoalignment to Structured Light: Liquid Crystal Platforms for Beam Shaping and Complex Wavefronts

Advanced Functional Materials, EarlyView.
Photoaligned and photopatterned liquid crystal platforms provide programmable control of optical phase, polarization, and spin‐orbit interactions, enabling compact generation of structured light and complex wavefronts. This review highlights how tailored molecular orientations transform simple beams into designed optical fields, opening versatile ...
Le Zhou, Tingjun Zhong, Sijie Liu, Pouya Nosratkhah, Ke Xu, Yuzhen Zhao, Kristiaan Neyts   +6 more
wiley   +1 more source

Enhancing Accuracy of Quantum-Selected Configuration Interaction Calculations Using Multireference Perturbation Theory: Application to Aromatic Molecules. [PDF]

ACS Omega
Shirai S, Tseng SY, Iwakiri H, Horiba T, Hirai H, Koh S.   +5 more
europepmc   +1 more source

Computational Protocol to Evaluate Electron-Phonon Interactions Within Density Matrix Perturbation Theory. [PDF]

J Chem Theory Comput, 2022
Yang H, Govoni M, Kundu A, Galli G.
europepmc   +1 more source

Graphene Quantum Dot‐Induced Microstrain for Framework Stabilization of High‐Entropy Prussian Blue Analog in High‐Current Alkaline Hydrogen Evolution Reaction

Advanced Functional Materials, EarlyView.
The intrinsic distortion‐rich lattice of HEPBA with GQD‐enabled microstrain engineering establishes a mechanistic route toward high‐performance alkaline hydrogen evolution reaction. HEPBA inherently feature heterogeneous local coordination environments arising from multimetal incorporation, while properly introducing GQD during coprecipitation ...
Mia Rinawati, Yu‐Ru Liu, Wei‐Hsiang Huang, Kuan‐Yu Lin, Ching‐Ju Ho, Ling‐Yu Chang, Karel Roubik, Ni Luh Wulan Septiani, Ahmad Nuruddin, Wei‐Nien Su, Min‐Hsin Yeh   +10 more
wiley   +1 more source