Different Average Size Evolution of Gaseous Water Cluster in an Expanding Gas Flow
Sign Up to like & getrecommendations! Published in 2020 at "Journal of Cluster Science"
DOI: 10.1007/s10876-020-01887-4
Abstract: Formation of pure gaseous water cluster in the supersonic gas flow from a conical nozzle was investigated by simulation. The simulation results show that average size of water cluster indicates a different size evolution along… read more here.
Keywords: size; cluster; water cluster; gas flow ... See more keywords
Ab initio investigation of possible candidate structures and properties of water cluster (H2O)7+ via particle swarm optimization method
Sign Up to like & getrecommendations! Published in 2017 at "Computational and Theoretical Chemistry"
DOI: 10.1016/j.comptc.2016.11.028
Abstract: Abstract The structures of the ionized water cluster (H 2 O) 7 + are investigated through the particle swarm optimization method combined with ab initio method. Some new lower energy structures are found after geometric… read more here.
Keywords: water cluster; water; optimization method; swarm optimization ... See more keywords
Ab initio study of cationic water cluster (H2O)9+ via particle swarm optimization algorithm
Sign Up to like & getrecommendations! Published in 2017 at "Computational and Theoretical Chemistry"
DOI: 10.1016/j.comptc.2017.09.020
Abstract: Abstract The 16 lowest energy isomers of cationic water cluster (H 2 O) 9 + have been comprehensively searched by the particle swarm optimization algorithm combined with quantum chemistry calculations. Geometric optimization and vibration analysis… read more here.
Keywords: water cluster; chemistry; swarm optimization; particle swarm ... See more keywords
How hydrophobic side chain design affects water cluster connectivity in model polymer electrolyte membranes: Linear versus Y-shaped side chains
Sign Up to like & getrecommendations! Published in 2020 at "International Journal of Hydrogen Energy"
DOI: 10.1016/j.ijhydene.2020.09.010
Abstract: Abstract Dissipative Particle Dynamics is used to model water clustering in ion exchange membranes. We consider polymers with hydrophobic backbone alternatingly grafted with short hydrophilic ([C]) and hydrophobic linear (A6) or Y-shaped side chains (ie.… read more here.
Keywords: cluster connectivity; water; water cluster; side ... See more keywords
Cluster Formation Effect of Water on Pristine and Defective MoS2 Monolayers
Sign Up to like & getrecommendations! Published in 2023 at "Nanomaterials"
DOI: 10.3390/nano13020229
Abstract: The structure and electronic properties of the molybdenum disulfide (MoS2) monolayer upon water cluster adsorption are studied using density functional theory and the optical properties are further analyzed with the Bethe–Salpeter equation (BSE). Our results… read more here.
Keywords: defective mos2; water; pristine defective; mos2 ... See more keywords