Results 251 to 260 of about 174,741 (346)

Electro-optic properties from ab initio calculations in two-dimensional materials [PDF]

Zhijun Jiang, Hongjun Xiang, L. Bellaïche, Charles Paillard   +3 more
openalex   +1 more source

Interfacially Reinforced Crosslinked Binder with Structural Integrity for Stable Micro‐Sized Silicon Anodes in All‐solid‐state Batteries

Advanced Science, EarlyView.
ABSTRACT All‐solid‐state batteries (ASSBs) have attracted considerable attention as next‐generation energy storage systems owing to their high energy density and safety. However, their performance is critically limited by insufficient solid–solid interfacial contact and severe chemomechanical degradation, particularly for micro‐sized silicon (µSi ...
Chanho Lee, Yuri Nam, Incheol Jeong, Seo Eun Lee, Taewook Kim, Jinhyung Kim, Wooseup Jo, Moonsu Yoon, Jongkyeong Lim, Seho Sun, Junghyun Choi, Chan Ho Park, Dongsoo Lee   +12 more
wiley   +1 more source

Topological Ring Currents in Open-Shell Homologues of Clar's Goblet and Triangulene. [PDF]

J Phys Chem A
Dickens TK, Mallion RB.
europepmc   +1 more source

Monte Carlo method using AB initio total energy calculation

, 2006
Luana S. Pedroza
openalex   +1 more source

$\textit{Ab initio}$ multiconfigurational calculations of experimentally significant energy levels and transition rates in Lr I $\left( Z=103 \right)$ [PDF]

J. B. Andrews, A. I. Bondarev, Per Jönsson, Jon Grumer, S. Raeder, S. Fritzsche, Jacek Bieroń   +6 more
openalex   +1 more source

Surface‐Interaction‐Driven Polarity Switching in II–V Cd3P2 Colloidal Quantum Dots for Infrared Photodiodes

Advanced Science, EarlyView.
. ABSTRACT Colloidal quantum dots (CQDs) based on II–V semiconductors offer attractive optical absorption and carrier transport properties for infrared optoelectronics, yet their device‐relevant electronic behavior remains poorly understood. In particular, Cd3P2 CQDs have been constrained by limited control over nanocrystal growth and carrier polarity.
Ha‐Chi V. Tran, Doeun Shim, Youngsang Park, Mahnmin Choi, Hyeonjun Jeong, Guillaume Bonifas, Liyan Ouyang, Celine Nayral, Fabien Delpech, Joongoo Kang, Sohee Jeong   +10 more
wiley   +1 more source

Infrared markers of topological phase transitions in quantum spin Hall insulators. [PDF]

NPJ Comput Mater
Fachin P, Macheda F, Barone P, Mauri F.
europepmc   +1 more source

Morphotropic Phase Boundary in Graft Poly(Vinylidene Fluoride‐co‐Tetrafluoroethylene) With High Curie Temperature

Advanced Science, EarlyView.
The first TrFE‐free ferroelectric polymers exhibiting concurrently a morphotropic phase boundary and high Curie temperature are reported through a grafting strategy, which is completely different from previous methods to design MPB by composition and irradiation. This finding offers a cost‐effective solution to decode the long‐standing inverse relation
Zekai Fei, Chenyi Li, Yuquan Liu, Yang Li, Yun Zhang, Huamin Zhou, Yang Liu   +6 more
wiley   +1 more source

Elucidation of the Ro-Vibrational Band Structures in the Silicon Tetrafluoride Spectra from Accurate Ab Initio Calculations. [PDF]

Molecules
Egorov O, Rey M.
europepmc   +1 more source

Engineered Interfacial Control for Suppression of Phase Instability: Operando Visualization from Device to Module Scale

Advanced Science, EarlyView.
Operando real‐time current density–voltage absorption spectroscopy visualizes spatial phase evolution in mixed‐halide perovskites from device to module scale. Phase instability preferentially initiates in regions with insufficient carrier extraction, revealing electrical boundary conditions as governing factors.
Hangyeol Choi, Soo Woong Jeon, Wookyung Jeon, You‐Hyun Seo, Gill Sang Han, Myunghun Shin, Ji‐Sang Park, Jun Hong Noh, Yohan Yoon   +8 more
wiley   +1 more source