A5034381205- Electrocatalysts for Energy Conversion
- Catalytic Processes in Materials Science
- Advanced Photocatalysis Techniques
- Nanopore and Nanochannel Transport Studies
- MXene and MAX Phase Materials
- Color Science and Applications
- Graphene research and applications
- Fuel Cells and Related Materials
- Catalysis and Hydrodesulfurization Studies
- Estrogen and related hormone effects
- Material Dynamics and Properties
- Pressure Ulcer Prevention and Management
- Surface and Thin Film Phenomena
- Conservation Techniques and Studies
- Phytoestrogen effects and research
- Cultural Heritage Materials Analysis
- Metal-Organic Frameworks: Synthesis and Applications
- Machine Learning in Materials Science
- Menopause: Health Impacts and Treatments
- Advanced Thermodynamics and Statistical Mechanics
- Force Microscopy Techniques and Applications
The University of Queensland
2019-2022
Brisbane School of Theology
2020
Indigenous Wellbeing Centre
2014
University of Nebraska System
2007
Paired, single-atom catalysts have been shown to demonstrate synergistic effects computationally and experimentally which enable them outperform the benchmark catalyst, Pt/C, for electrochemical reactions. We explore limit of these by screening different transition metal atoms (M = Co, Pt, Fe, Ni) in nitrogen-doped graphene their ability catalyze oxygen reduction reaction (ORR). employ density functional theory methods electronic factors affecting catalytic activity an effort rationalize...
Multiple heteroatoms-doped carbon with 3D ordered macroporous structures, which showing outstanding catalytic activity for oxygen reduction, was prepared by carbonization of double-solvent-induced MOF/polystyrene sphere accompanied post-doping.
Abstract Nitrogen-doped graphene (NG) has attracted increasing attention because its properties are significantly different to pristine graphene, making it useful for various applications in physics, chemistry, biology, and materials science. However, the NGs that can currently be fabricated using most experimental methods always have low N concentrations a mixture of dopants, which limits desirable physical chemical properties. In this work, first principles calculations combined with local...
Density functional theory calculations are used to study the effect of several metal dopants (M = Ag, Cd, Co, Cu, Fe, Ni, Pt, Sc, Ti, and Zn) metal–boron co‐dopants on structure catalytic property g‐C 3 N 4 2D monolayer. Using transition metals boron (TM–B) as not only keeps stability monolayer, but also alters performance structures. The co‐doping B in TM (TM Zn, Sc)‐doped leads a significant increase hydrogen adsorption energy because binding site changes from C. For TM–B Ni) co‐doped ,...
Abstract Purpose: This pilot study was designed to determine the difference in frequency and distress related perimenopausal symptoms users nonusers of hormone therapy (HT), identify quality life (QoL) indicators, if there is a relationship between QoL for HT ages 40 55 years. Data source: Self‐reported responses Perimenopause Assessment Questionnaire with five indicators imbedded, Women’s Health Scale, height, weight, body mass index from 77 89 HT. Conclusions: More reported using control...
Widely applicable, modified Green-Kubo expressions for the local diffusion coefficient (Dl) are obtained using linear response theory. In contrast to past definitions in use, these statistical mechanical results. Molecular simulations of systems with anisotropic and an inhomogeneous density profile confirm validity Diffusion coefficients determined from different terms currents velocity correlations agree limit large systems. Furthermore, they apply arbitrarily small regions, making them...
Abstract The binding energy of small molecules on two‐dimensional (2D) single atom catalysts influences their reaction efficiency and suitability for different applications. In this study, the metal atoms to N‐doped graphene defects was predicted using random forest regression based approximately 1700 previously generated density functional theory simulations catalytic reactions. Three structural feature groups containing hundreds individual features were created used characterise active...
Metal heteroatoms dispersed in nitrogen-doped graphene display promising catalytic activity for fuel cell reactions such as the hydrogen evolution reaction (HER). Here we explore effects of dopant concentration on synergistic behaviour a paired metal atom active site comprised Co and Pt atoms. The metals are coordinated to six atoms vacancy N-doped graphene. We find that HER is enhanced with increasing N concentration, where free energy adsorption ranges from 0.23 -0.42 eV doping changes...
AbstractBackground: This paper describes quality improvement strategies implemented following the identification of a significantly high prevalence rate and severity pressure injuries in regional health care facility large district Queensland, Australia. Aim: The aim this is to inform professionals processes employed reduce incidence financial burden detection rates that were above State average. Method: An audit injury data was conducted on single day throughout hospital. Prevalence...
Widely applicable, modified Green-Kubo expressions for the local diffusion coefficient ($D_l$) are obtained using linear response theory. In contrast to past definitions in use, these statistical mechanical results. Molecular simulations of systems with anisotropic and an inhomogeneous density profile confirm validity Diffusion coefficients determined from different terms currents velocity correlations agree limit large systems. Furthermore, they apply arbitrarily small regions, making them...