ORCID Profile
0000-0002-8644-3114
Current Organisation
UNSW Sydney
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Publisher: Elsevier BV
Date: 02-2013
DOI: 10.1016/J.SAA.2012.10.017
Abstract: The excited-state properties of intramolecular hydrogen bonding (IMHB) in methyl salicylate (MS) and its effects on the excited-state intramolecular proton transfer (ESIPT) have been investigated using theoretical methods. From the geometric optimization and IR spectra in the ground and excited states calculated by density functional theory (DFT) and time-dependent DFT (TD-DFT) methods respectively, the IMHB is demonstrated to be significantly strengthened upon excitation to excited state S(1). Thereby, the ESIPT is facilitated by the excited-state IMHB strengthening since ESIPT takes place through IMHB. In addition, the absorption and fluorescence peaks of the S(1) state are also calculated using the TD-DFT method. It is noted that the calculated spectra are in good agreement with the experimental results, which has confirmed the ESIPT mechanism of MS first proposed by Weller. Moreover, other four 2-hydroxybenzoyl compounds forming strong IMHB are investigated to understand the effect of substituent R on the ESIPT process. We find that the hydrogen bond strength can be controlled by the inductive field effect of the substituent. Thus it is inferred that the ESIPT reaction can be facilitated by the inductive effect of electron-donating substituent.
Publisher: American Chemical Society (ACS)
Date: 26-01-2021
Publisher: Elsevier BV
Date: 09-2020
Publisher: Royal Society of Chemistry (RSC)
Date: 2020
DOI: 10.1039/D0TA01727B
Abstract: Porous yet rigid 2D covalent–organic framework nanosheets can not only increase the interlayer spacing between graphene oxide nanosheets and provide direct transfer channels but also enhance the self-supporting capacity of graphene oxide laminates.
Publisher: Royal Society of Chemistry (RSC)
Date: 2019
DOI: 10.1039/C9NR02007A
Abstract: The major modes of using nanocarbon materials for water disinfection: hydrogel filters, filtration membranes, recyclable aggregates, electrochemical devices, and photocatalysts.
Publisher: Elsevier BV
Date: 07-2019
Publisher: Elsevier BV
Date: 10-2021
Publisher: Wiley
Date: 29-01-2019
Publisher: Wiley
Date: 03-11-2021
Abstract: Zinc ion hybrid capacitors (ZIHCs) are promising energy storage devices for emerging flexible electronics, but they still suffer from trade‐off in energy density and cycling life. Herein, we show that such a dilemma can be well‐addressed by deploying ZnCl 2 based electrolytes. Combining experimental studies and density functional theory (DFT) calculations, for the first time, we demonstrate an intriguing chloride ion (Cl − ) facilitated desolvation mechanism in hydrated [ZnCl] + (H 2 O) n−1 (with n=1–6) clusters. Based on this mechanism, a water‐in‐salt type hydrogel electrolyte filled with ZnCl 2 was developed to concurrently improve the energy storage capacity of porous carbon materials and the reversibility of Zn metal electrode. The resulting ZIHCs deliver a battery‐level energy density up to 217 Wh kg −1 at a power density of 450 W kg −1 , an unprecedented cycling life of 100 000 cycles, together with excellent low‐temperature adaptability and mechanical flexibility.
Publisher: Elsevier BV
Date: 07-2021
Publisher: American Chemical Society (ACS)
Date: 03-05-2013
DOI: 10.1021/IC400924N
Abstract: The electronically excited state and luminescence property of metal-organic framework Zn(3-tzba)(2,2'-bipy)(H2O)·nH2O have been investigated using the density functional theory (DFT) and time-dependent DFT (TDDFT). The calculated geometry and infrared spectra in the ground state are consistent with the experimental results. The frontier molecular orbitals and electronic configuration indicated that the origin of luminescence is attributed to a ligand-to-ligand charge transfer (LLCT). We theoretically demonstrated that the hydrogen bond H47···O5═C is weakened in the excited state S1 the weakening of the excited-state hydrogen bonding should be beneficial to the luminescence. To explore the effect of the water clusters on the luminescence, we studied four complexes Zn(3-tzba)(2,2'-bipy)(H2O)·3H2O, Zn(3-tzba)(2,2'-bipy)(H2O)·2H2O, Zn(3-tzba)(2,2'-bipy)(H2O)·H2O, and Zn(3-tzba)(2,2'-bipy)(H2O). The results reveal that the presence of water should play an important role in the emission characteristics of the MOF. Also, the UV-vis absorption and emission spectra of Zn(3-tzba)(2,2'-bipy)(H2O)·3H2O are in good agreement with the experimental results.
Publisher: Wiley
Date: 20-11-2020
Publisher: Wiley
Date: 17-10-2019
DOI: 10.1002/CEY2.14
Abstract: Synthesis of structurally controlled graphene materials is critical for realizing their practical applications. The electrochemical exfoliation of graphite has emerged as a simple method to produce graphene materials. This review examines research progress in the last 5 years, from 2015 to 2019. Graphene material synthesis methods generally have a trade‐off between increasing production yield and achieving better material property control. The synthesis conditions for synthesizing pristine graphene, graphene oxide (GO), and graphene composites are significantly different. Thus, in this review, we first discuss synthesis methods for graphene materials with high C/O ratios from four aspects: graphite electrodes, equipment engineering, electrolytes, and additional reduction methods. Next, we survey synthesis methods for GO and examine how the pretreatment of the graphite electrodes, electrolytes, and operation parameters, such as applied voltages, electrolyte temperatures, and mechanical forces, affect the quality of GO. Further, we summarize electrochemical exfoliation methods used to dope graphene materials, introduce covalent functional groups, incorporate various nanoparticles, and assembly of graphene architectures. For all synthesis methods, we compare the properties of resulting graphene materials such as C/O ratios, lateral size, layer numbers, and quality characterized by Raman spectroscopy. Lastly, we propose our perspectives on further research. We hope this review stimulates more studies to realize the on‐demand production of graphene materials with desired properties using electrochemical exfoliation methods.
Publisher: Elsevier BV
Date: 03-2020
Publisher: Elsevier BV
Date: 10-2013
Publisher: Royal Society of Chemistry (RSC)
Date: 2020
DOI: 10.1039/D0CC02813D
Abstract: A new family of viscosity sensitive near-infrared fluorescent probes is created by grafting rotors on single walled carbon nanotubes. The new photoluminescence emission peaks are highly sensitive to the viscosity of solutions.
Publisher: Royal Society of Chemistry (RSC)
Date: 2018
DOI: 10.1039/C7BM00987A
Abstract: This minireview attempts to correlate the complex structure–property relationship with the antimicrobial mechanisms of graphene materials.
Publisher: Elsevier BV
Date: 04-2018
Publisher: Elsevier BV
Date: 04-2020
Publisher: Royal Society of Chemistry (RSC)
Date: 2018
DOI: 10.1039/C7QM00452D
Abstract: Cathodic polarization treatment modulates the surface functional group composition of ZIF-8 derived metal-free carbon catalysts, resulting in enhanced OER/HER activity.
Publisher: Elsevier BV
Date: 09-2021
Publisher: Wiley
Date: 07-06-2018
Abstract: Compactness and versatility of fiber-based micro-supercapacitors (FMSCs) make them promising for emerging wearable electronic devices as energy storage solutions. But, increasing the energy storage capacity of microscale fiber electrodes, while retaining their high power density, remains a significant challenge. Here, this issue is addressed by incorporating ultrahigh mass loading of ruthenium oxide (RuO
Publisher: American Chemical Society (ACS)
Date: 19-07-2021
No related grants have been discovered for Xiao Sui.