Ab initio Study of Ground-State CS Photodissociation Via Highly Excited Electronic States

Photodissociation by ultraviolet radiation is the key destruction pathway for CS in photon-dominated regions, such as diffuse clouds. However, the large uncertainties of photodissociation cross sections and rates of CS, resulting from a lack of both laboratory experiments and theoretical calculations, limit the accuracy of calculated abundances of S-bearing molecules by modern astrochemical models. Here we show a detailed \textit{ab initio} study of CS photodissociation. Accurate potential energy curves of CS electronic states were obtained by choosing an active space CAS(8,10) in MRCI+Q/aug-cc-pV(5+d)Z calculation with additional diffuse functions, with a focus on the $B$ and C\,^1\Sigma^+ states. Cross sections for both direct photodissociation and predissociation from the vibronic ground state were calculated by applying the coupled-channel method. We found that the $C-X$ $(0-0)$ transition has extremely strong absorption due to a large transition dipole moment in the Franck-Condon region and the upper state is resonant with several triplet states via spin-orbit couplings, resulting in predissociation to the main atomic products C $(^3P)$ and S $(^1D)$. Our new calculations show the photodissociation rate under the standard interstellar radiation field is 2.9\ee{-9}\,s$^{-1}$, with a 57\% contribution from $C-X$ $(0-0)$ transition. This value is larger than that adopted by the Leiden photodissociation and photoionization database by a factor of 3.0. Our accurate \textit{ab initio} calculations will allow more secure determination of S-bearing molecules in astrochemical models.Comment: 23 pages, 14 figure

Survey of oral hygiene behaviour, knowledge and oral hygiene status among Hong Kong adults : a pilot study

Objectives: To study the correlation between oral health behaviour and knowledge with respect to the oral hygiene status of Hong Kong Chinese adults. Materials and methods: Subject selection was by convenience sampling. A total of four outreach visits were arranged in March 2015. The participants’ oral health behavior and knowledge were evaluated through a self-reported questionnaire, while existing oral conditions were recorded following clinical examination using Visible Plaque Index (VPI) and Gingival Bleeding Index (GBI). Data analysis was carried out using SPSS on results obtained from the questionnaire as well as clinical examination. Results: A total of 147 subjects participated in this research project, of which 72% (103/147) were female while 28% (44/147) were male. Male subjects had statistically significantly higher mean VPI scores compared to female subjects interproximally, buccally and lingually (t-test, p<0.05). Furthermore, there exists a statistically significant negative correlation between oral health knowledge score (mean = 9.3, SD = 3.1) and VPI score (Pearson correlation test, p=0.025). Subjects who agreed accumulation of plaque or bacteria as a contributing factor to caries and periodontal diseases are statistically significantly lower than subjects who disagreed this statement in terms of mean VPI scores (53% vs 63%, t-test, p<0.05). Conclusion: Participants with better oral health knowledge who also recognized accumulation of plaque or bacteria as one of the contributing factors to dental caries and periodontal disease had better oral hygiene levels in terms of VPI.published_or_final_versio

Patterning of L10 FePt Nanoparticles with Ultra-High Coercivity for Bit-Patterned Media

L1(0)-ordered FePt nanoparticles (NPs) with ultra-high coercivity were directly prepared from a new metallopolyyne using a one-step pyrolysis method. The chemical ordering, morphology and magnetic properties of the as-synthesized FePt NPs have been studied. Magnetic measurements show the coercivity of these FePt NPs is as high as 3.6 T. Comparison of NPs synthesized under the Ar and Ar/H-2 atmospheres shows that the presence of H-2 in the annealing environment influences the nucleation and promotes the growth of L1(0)-FePt NPs. Application of this metallopolymer for bit-patterned media was also demonstrated using nanoimprint lithography.Department of Applied PhysicsDepartment of Applied Biology and Chemical Technolog

State-to-state spectroscopy and dynamics of ions and neutrals by photoionization and photoelectron methods

Recent advances in high-resolution photoionization, photoelectron, and photodissociation studies based on single-photon vacuum ultraviolet (VUV) and two-color infrared (IR)-VUV, visible (VIS)-ultraviolet (UV), and VUV-VUV laser excitations are illustrated with selected examples. We show that VUV laser photoionization coupled with velocity-map-imaging (VMI)-threshold photoelectron (VMI-TPE) detection can achieve comparable energy resolutions, but higher detection sensitivities than those observed in VUV laser pulsed field ionization-photoelectron (PFI-PE) measurements. For molecules with known intermediate states, IR-VUV and VIS-UV excitation schemes are highly sensitive for rovibronically selected and resolved PFI-PE studies. The successful applications of the VUV-PFI-PE, VUV-VMI-TPE and VIS-UV-PFI-PE methods to state-resolved and state-to-state photoelectron studies of transient radicals and transitional metal-containing molecules are highlighted. The most recently established VUV-VUV pump-probe time-slice VMI-photoion method is shown to be promising for state-to-state photodissociation studies of small molecules relevant to planetary atmospheres and for the fundamental understanding of photodissociation dynamics.Ope

Land and people in Tung Chung Valley: an example of rural land use in Hong Kong

published_or_final_versionGeography and GeologyDoctoralDoctor of Philosoph