Results 61 to 70 of about 40,146 (286)

Prediction of Cyclic O6 Molecules Stabilized by Helium under Pressure

Advanced Science
Oxygen usually exists in the form of diatomic molecules at ambient conditions. At high pressure, it undergoes a series of phase transitions from diatomic O2 to O8 cluster and ultimately dissociates into a polymeric O4 spiral chain structure. Intriguingly,
Jingyu Hou, Qiang Zhu, Xiao‐Ji Weng, Xi Shao, Xiao Dong, Hui‐Tian Wang, Xiang‐Feng Zhou, Yongjun Tian   +7 more
doaj   +1 more source

Vibrational excitation of diatomic molecular ions in strong-field ionization of diatomic molecules

, 2005
A model based on the strong-field and Born-Oppenheimer approximations qualitatively describes the distribution over vibrational states formed in a diatomic molecular ion following ionization of the neutral molecule by intense laser pulses. Good agreement
B. Fabre, B. Fabre, D. W. Turner, Lars Bojer Madsen, Thomas K. Kjeldsen   +4 more
core   +1 more source

Programmable Semi‐Interpenetrating Living Materials With Robust Stability for Versatile Bioremediation and Biotherapeutics

Advanced Science, EarlyView.
A semi‐interpenetrating engineered living material (sIHSELM), fabricated via thermosensitive hydroxybutyl chitosan and covalent protein self‐assembly, demonstrates exceptional mechanical properties and environmental stability. Shielding bacteria from harsh conditions, sIHSELM exhibits remarkable efficacy in ulcerative colitis treatment and pollutants ...
Zixian Bao, Shengfeng Yang, Dandan Hu, Jiezheng Liu, Bo Jiang, Xinyue Sui, Qingsheng Qi, Lai Li, Guang Zhao   +8 more
wiley   +1 more source

King-Plot Analysis of Isotope Shifts in Simple Diatomic Molecules

Physical Review X, 2023
We demonstrate that the isotope shift in isotopomers of diatomic molecules, where the nucleus of one of its constituent atoms is replaced by another isotope, can be expressed as the sum of a field shift and a mass shift similar to the atomic case.
Michail Athanasakis-Kaklamanakis, Shane G. Wilkins, Alexander A. Breier, Gerda Neyens   +3 more
doaj   +1 more source

High‐Throughput Screening and Interpretable Machine Learning for Rational Design of Bimetallic Catalysts for Methane Activation

Advanced Science, EarlyView.
ABSTRACT Methane's efficient catalytic removal is vital for sustainable development. Bimetallic catalysts, though promising for methane activation, pose a design challenge due to their complex compositional space. This work introduces an integrated framework that combines high‐throughput density functional theory (DFT) and interpretable machine ...
Mingzhang Pan, Tian Zhang, Jiawei Dong, Yubao Xie, Kaifeng Zhong, Wei Guan, Haiqiao Wei, Changcheng Fu, Yaqiong Su   +8 more
wiley   +1 more source

Carrier-envelope-phase measurement of sub-cycle UV pulses using angular photofragment distributions

Communications Physics, 2022
The carrier-envelope-phase of sub-cycle UV pulses strongly influences the dynamics of quantum systems, but its characterization is not accessible experimentally.
Xiao Xia Dong, Yan Rong Liu, Victor Kimberg, Oriol Vendrell, Yong Wu, Jian Guo Wang, Jing Chen, Song Bin Zhang   +7 more
doaj   +1 more source

Stabilizing Atomically Dispersed Au With Adjacent Pt for Spatially Precise Molecule Recognition

Advanced Science, EarlyView.
A strategy to stabilize atomically dispersed Au catalysts by introducing Pt atoms into CeO2 supports is presented. Pt incorporation prevents Au aggregation, enhances Au‐O orbital coupling, and enables precise recognition of multi‐functionalized molecules, improving catalytic performance and the structural stability of Au‐based catalysts in ...
Rui Tang, Xiangyu Xiao, Jingyi Yao, Qing Wang, Qijing Gao, Nan Zhou, Fanyi Kong, Dingguan Liang, Kangning Dong, Liang Xiong, Yuwei Cao, Zhendong Lei, Liang Tang   +12 more
wiley   +1 more source

Polyatomic candidates for cooling of molecules with lasers from simple theoretical concepts

, 2016
A rational approach to identify polyatomic molecules that appear to be promising candidates for direct Doppler cooling with lasers is outlined. First-principle calculations for equilibrium structures and Franck--Condon factors of selected representatives
Berger, Robert, Isaev, Timur
core   +1 more source

Deciphering Intricacies in Directional CO2 Conversion From Electrolysis to CO2 Batteries

Advanced Energy Materials, EarlyView.
This review will delve into the inherent connections and distinctions of CO2‐directed conversion in ECO2RR and CO2 batteries, in terms of product types, catalyst selection, catalytic mechanisms, and electrochemical performances, while proposing a benchmarking framework for the evaluation of CO2 batteries and innovative CO2 battery configurations for ...
Changfan Xu, Huaping Zhao, Lizhuang Chen, Weidong Shi, Guosheng Shao, Yong Lei   +5 more
wiley   +1 more source

Analytical development to determine vibrational energy levels and dissociation energy of diatomic molecules

FirePhysChem
This study presents the development of an analytical method for calculating vibrational energy levels and dissociation energy of diatomic molecules by solving the Schrödinger equation (SE) via the Floquet theorem and the resonating averages method (RAM ...
Ibrahim Amila, Abdelaziz Fedoul, Mohammed Janati Idrissi, Yahya Ababou, Salaheddine Sayouri   +4 more
doaj   +1 more source