Results 111 to 120 of about 2,575,718 (291)

Accurate and Rapid Prediction of pKa of Transition Metal Complexes: Semiempirical Quantum Chemistry with a DataAugmented Approach

, 2020
Rapid and accurate prediction of reactivity descriptors of transition metal (TM) complexes is a major challenge for contemporary quantum chemistry.
Vivek, Sinha, Jochem Jan, Laan, Evgeny, Pidko   +2 more
core   +1 more source

Hydrogen‐Bond–Driven Ion Retention in Electrolyte‐Gated Synaptic Transistors

Advanced Functional Materials, EarlyView.
Anion molecular design governs ion–polymer interactions in electrolyte‐gated synaptic transistors. Asymmetric anions induce hydrogen‐bond interactions that suppress ion back‐diffusion and stabilize doping, enabling enhanced nonvolatile synaptic properties.
Donghwa Lee, Hyoik Jang, Myeongjin An, Junho Sung, Chaeyeon Han, Eunho Lee   +5 more
wiley   +1 more source

Quantum dot enabled thermal imaging of optofluidic devices

, 2012
Quantum dot thermal imaging has been used to analyse the chromatic dependence of laser-induced thermal effects inside optofluidic devices with monolithically integrated near-infrared waveguides. We demonstrate how microchannel optical local heating plays
Rodenas, Airan, Paterson, Lynn; id_orcid, Kar, Ajoy K., Choudhury, Debaditya, Ramsay, William T., Jaque, Daniel   +5 more
core   +1 more source

Homogenous FACsPbI3 Perovskite Solar Cells Enabled by a Seed‐Facilitated Cation Exchange Strategy

Advanced Functional Materials, EarlyView.
A novel seed‐facilitated cation exchange strategy is designed for homogenous FACsPbI3 perovskites using the biomass‐derived solvent γ‐valerolactone. Pre‐deposited 0D Cs4PbI6 seeds induce rapid nucleation and efficient cation exchange, producing a uniform FA–Cs distribution and significantly reducing defect density, enabling high‐performance and stable ...
Meng Ren, Guodong Chen, Haifei Wang, Bowei Li, Yuetian Chen, Jiahao Guo, Yingping Fan, Shaowei Wang, Yanfeng Miao, Feng Gao, Yixin Zhao   +10 more
wiley   +1 more source

International Journal of Quantum Chemistry

, 1995
Texto completo. Acesso restrito. p. 373-381On statistical-mechanical grounds, a stochastic optimization technique (generalized simulated annealing) has been recently proposed which contains both classical simulated annealing (Kirkpatrick et al ...
Tsallis, Constantino, Mundim, Kleber Carlos   +1 more
core  

Rationally Designed Bilayer Passivation Strategy for High‐Performance Vacuum‐Processed Perovskite Solar Cells

Advanced Functional Materials, EarlyView.
A bilayer “Anchor‐and‐Seal” passivation strategy using EDAI2 and 4MeO‐PEAI effectively mitigates surface defects in vacuum‐processed perovskite films through synergistic hydrogen bonding and Lewis base coordination. This approach optimizes interfacial energy alignment and suppresses non‐radiative recombination, enabling vacuum‐deposited p‐i‐n ...
Mohammadhossein Kohan, Sang‐Heon Lee, Jaswinder Singh, Sung‐Nam Kwon, Seok‐In Na   +4 more
wiley   +1 more source

Solvent Co‐Intercalation Enabled Ca Storage in MoS2 for Ca‐Ion Batteries

Advanced Functional Materials, EarlyView.
Regulating electrolyte solvation levels enables otherwise non‐intercalatable Ca2+ ions to reversibly co‐intercalate into molybdenum disulfide (MoS2) as ether‐solvated species. The intercalation reversibility is strongly governed by solvent chain length, as demonstrated using diethylene glycol dimethyl ether (G2) and tetraethylene glycol dimethyl ether (
Yudong Luo, Matthias Golomb, Yupei Han, Pan He, Neubi Xavier, Wanjun Ren, Yi Lu, Matthew Hopper, Henry R. Tinker, Qiong Cai, Yang Xu   +10 more
wiley   +1 more source

Coating Artificial Spider Silk Fiber with Magnetic FeCo: An Effective Strategy for Creating a Flexible Magneto‐Responsive Material

Advanced Functional Materials, EarlyView.
An original method is presented for producing artificial spider silk fibers with magnetic and magnetomechanical responsiveness, which consists in coating them with a nanometer‐thick layer of FeCo alloy by sputtering deposition. The challenge of combining organic materials and inorganic magnetic nanostructures is addressed, thus taking a step forward ...
Filippo Lanaro, Federico Spizzo, Gabriele Greco, Benjamin Schmuck, Anna Rising, Lucia Del Bianco   +5 more
wiley   +1 more source

Molecular Polaritons for Chemistry, Photonics and Quantum Technologies

Chemical Reviews
Molecular polaritons are quasiparticles resulting from the hybridization between molecular and photonic modes. These composite entities, bearing characteristics inherited from both constituents, exhibit modified energy levels and wave functions, thereby ...
Bo Xiang, Wei Xiong
semanticscholar   +1 more source

Orbital Geometry‐Governed Response of Pressure‐Tunable Quantum Defects in hBN

Advanced Functional Materials, EarlyView.
Defects in hBN act as ultrasensitive quantum manometers when the energy of the intradefect optical transitions is modified by lattice compression. The orbital geometry of the electron wave functions governs how electron hopping and Coulomb interactions react uniquely to the reduction of the van der Waals gap and in‐plane compression, leading to robust ...
Magdalena Grzeszczyk, Danis I. Badrtdinov, Kenji Watanabe, Takashi Taniguchi, Cyrus E. Dreyer, Malte Rösner, Maciej Koperski   +6 more
wiley   +1 more source