Queen's University Belfast

About: Queen's University Belfast is a education organization based out in Belfast, United Kingdom. It is known for research contribution in the topics: Population & Context (language use). The organization has 25457 authors who have published 55463 publications receiving 1751346 citations. The organization is also known as: Queen's College, Belfast & Queen's College.

Catalytic Role of Gold in Gold-Based Catalysts: A Density Functional Theory Study on the CO Oxidation on Gold

Abstract: Gold-based catalysts have been of intense interests in recent years, being regarded as a new generation of catalysts due to their unusually high catalytic performance. For example, CO oxidation on Au/TiO(2) has been found to occur at a temperature as low as 200 K. Despite extensive studies in the field, the microscopic mechanism of CO oxidation on Au-based catalysts remains controversial. Aiming to provide insight into the catalytic roles of Au, we have performed extensive density functional theory calculations for the elementary steps in CO oxidation on Au surfaces. O atom adsorption, CO adsorption, O(2) dissociation, and CO oxidation on a series of Au surfaces, including flat surfaces, defects and small clusters, have been investigated in detail. Many transition states involved are located, and the lowest energy pathways are determined. We find the following: (i) the most stable site for O atom on Au is the bridge site of step edge, not a kink site; (ii) O(2) dissociation on Au (O(2)-->2O(ad)) is hindered by high barriers with the lowest barrier being 0.93 eV on a step edge; (iii) CO can react with atomic O with a substantially lower barrier, 0.25 eV, on Au steps where CO can adsorb; (iv) CO can react with molecular O(2) on Au steps with a low barrier of 0.46 eV, which features an unsymmetrical four-center intermediate state (O-O-CO); and (v) O(2) can adsorb on the interface of Au/TiO(2) with a reasonable chemisorption energy. On the basis of our calculations, we suggest that (i) O(2) dissociation on Au surfaces including particles cannot occur at low temperatures; (ii) CO oxidation on Au/inactive-materials occurs on Au steps via a two-step mechanism: CO+O(2)-->CO(2)+O, and CO+O-->CO(2); and (iii) CO oxidation on Au/active-materials also follows the two-step mechanism with reactions occurring at the interface.

The R-Matrix Theory of Atomic Processes

Abstract: Publisher Summary This chapter discusses the R-matrix concept of atomic processes. The R-matrix method was first introduced by Wigner and Eisenbud with a fundamental idea that configuration space describes the scattered particle, and the target is divided into two regions. In the internal region (r

A systematic review of population based epidemiological studies in Myasthenia Gravis

Abstract: The aim was to collate all myasthenia gravis (MG) epidemiological studies including AChR MG and MuSK MG specific studies. To synthesize data on incidence rate (IR), prevalence rate (PR) and mortality rate (MR) of the condition and investigate the influence of environmental and technical factors on any trends or variation observed. Studies were identified using multiple sources and meta-analysis performed to calculate pooled estimates for IR, PR and MR. 55 studies performed between 1950 and 2007 were included, representing 1.7 billion population-years. For All MG estimated pooled IR (eIR): 5.3 per million person-years (C.I.:4.4, 6.1), range: 1.7 to 21.3; estimated pooled PR: 77.7 per million persons (C.I.:64.0, 94.3), range 15 to 179; MR range 0.1 to 0.9 per millions person-years. AChR MG eIR: 7.3 (C.I.:5.5, 7.8), range: 4.3 to 18.0; MuSK MG IR range: 0.1 to 0.32. However marked variation persisted between populations studied with similar methodology and in similar areas. We report marked variation in observed frequencies of MG. We show evidence of increasing frequency of MG with year of study and improved study quality. This probably reflects improved case ascertainment. But other factors must also influence disease onset resulting in the observed variation in IR across geographically and genetically similar populations.

On the Total Energy Efficiency of Cell-Free Massive MIMO

Abstract: We consider the cell-free massive multiple-input multiple-output (MIMO) downlink, where a very large number of distributed multiple-antenna access points (APs) serve many single-antenna users in the same time-frequency resource. A simple (distributed) conjugate beamforming scheme is applied at each AP via the use of local channel state information (CSI). This CSI is acquired through time-division duplex operation and the reception of uplink training signals transmitted by the users. We derive a closed-form expression for the spectral efficiency taking into account the effects of channel estimation errors and power control. This closed-form result enables us to analyze the effects of backhaul power consumption, the number of APs, and the number of antennas per AP on the total energy efficiency, as well as, to design an optimal power allocation algorithm. The optimal power allocation algorithm aims at maximizing the total energy efficiency, subject to a per-user spectral efficiency constraint and a per-AP power constraint. Compared with the equal power control, our proposed power allocation scheme can double the total energy efficiency. Furthermore, we propose AP selections schemes, in which each user chooses a subset of APs, to reduce the power consumption caused by the backhaul links. With our proposed AP selection schemes, the total energy efficiency increases significantly, especially for large numbers of APs. Moreover, under a requirement of good quality-of-service for all users, cell-free massive MIMO outperforms the colocated counterpart in terms of energy efficiency.