141 research outputs found
Polaronic signatures and spectral properties of graphene antidot lattices
We explore the consequences of electron-phonon (e-ph) coupling in graphene
antidot lattices (graphene nanomeshes), i.e., triangular superlattices of
circular holes (antidots) in a graphene sheet. They display a direct band gap
whose magnitude can be controlled via the antidot size and density. The
relevant coupling mechanism in these semiconducting counterparts of graphene is
the modulation of the nearest-neighbor electronic hopping integrals due to
lattice distortions (Peierls-type e-ph coupling). We compute the full momentum
dependence of the e-ph vertex functions for a number of representative antidot
lattices. Based on the latter, we discuss the origins of the previously found
large conduction-band quasiparticle spectral weight due to e-ph coupling. In
addition, we study the nonzero-momentum quasiparticle properties with the aid
of the self-consistent Born approximation, yielding results that can be
compared with future angle-resolved photoemission spectroscopy measurements.
Our principal finding is a significant e-ph mass enhancement, an indication of
polaronic behavior. This can be ascribed to the peculiar momentum dependence of
the e-ph interaction in these narrow-band systems, which favors small phonon
momentum scattering. We also discuss implications of our study for recently
fabricated large-period graphene antidot lattices.Comment: published versio
Single Platinum Atoms Electrocatalysts: Oxygen Reduction and Hydrogen Oxidation Reactions
Atomically dispersed catalyst consisting of Pt atoms arranged in a c(2 Ă 2) array on RuO2(110) substrate was prepared. A large interatomic distance of Pt atoms in a c(2 Ă 2) phase precludes the reactants to interact with more than one Pt atoms. A strong bond of Pt atoms with RuO2 prevents agglomeration of Pt atoms to form 2D-islands or 3D-clusters. Activities of single Pt atom catalyst for the oxygen reduction and hydrogen oxidation reactions were determined and compared with those of bulk Pt. It has lower catalytic activity for the oxygen reduction reaction and similar activity for hydrogen oxidation reaction compared to Pt(111). This was explained by a large calculated up-shift of the d-band center of Pt atoms and larger Pt-Pt interatomic distance than that of Pt(111). This information is of considerable interest for further development of electrocatalysis.
This work is licensed under a Creative Commons Attribution 4.0 International License
Clar Sextet Analysis of Triangular, Rectangular and Honeycomb Graphene Antidot Lattices
Pristine graphene is a semimetal and thus does not have a band gap. By making
a nanometer scale periodic array of holes in the graphene sheet a band gap may
form; the size of the gap is controllable by adjusting the parameters of the
lattice. The hole diameter, hole geometry, lattice geometry and the separation
of the holes are parameters that all play an important role in determining the
size of the band gap, which, for technological applications, should be at least
of the order of tenths of an eV. We investigate four different hole
configurations: the rectangular, the triangular, the rotated triangular and the
honeycomb lattice. It is found that the lattice geometry plays a crucial role
for size of the band gap: the triangular arrangement displays always a sizable
gap, while for the other types only particular hole separations lead to a large
gap. This observation is explained using Clar sextet theory, and we find that a
sufficient condition for a large gap is that the number of sextets exceeds one
third of the total number of hexagons in the unit cell. Furthermore, we
investigate non-isosceles triangular structures to probe the sensitivity of the
gap in triangular lattices to small changes in geometry
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Recent Advances in Developing Platinum Monolayer Electrocatalysts for the O2 Reduction Reaction
For Pt, the best single-element catalyst for many reactions, the question of content and loading is exceedingly important because of its price and availability. Using platinum as a fuel-cell catalyst in automotive applications will cause an unquantifiable increase in the demand for this metal. This big obstacle for using fuel cells in electric cars must be solved by decreasing the content of Pt, which is a great challenge of electrocatalysis Over the last several years we inaugurated a new class of electrocatalysts for the oxygen reduction reaction (ORR) based on a monolayer of Pt deposited on metal or alloy carbon-supported nanoparticles. The possibility of decreasing the Pt content in the ORR catalysts down to a monolayer level has a considerable importance because this reaction requires high loadings due to its slow kinetics. The Pt-monolayer approach has several unique features and some of them are: high Pt utilization, enhanced (or decreased) activity, enhanced stability, and direct activity correlations. The synthesis of Pt monolayer (ML) electrocatalysts was facilitated by our new synthesis method which allowed us to deposit a monolayer of Pt on various metals, or alloy nanoparticles [1, 2] for the cathode electrocatalyst. In this synthesis approach Pt is laid down by the galvanically displacing a Cu monolayer, which was deposited at underpotentials in a monolayer-limited reaction on appropriate metal substrate, with Pt after immersing the electrode in a K{sub 2}PtCl{sub 4} solution
Impact of renal impairment on atrial fibrillation: ESC-EHRA EORP-AF Long-Term General Registry
Background: Atrial fibrillation (AF) and renal impairment share a bidirectional relationship with important pathophysiological interactions. We evaluated the impact of renal impairment in a contemporary cohort of patients with AF. Methods: We utilised the ESC-EHRA EORP-AF Long-Term General Registry. Outcomes were analysed according to renal function by CKD-EPI equation. The primary endpoint was a composite of thromboembolism, major bleeding, acute coronary syndrome and all-cause death. Secondary endpoints were each of these separately including ischaemic stroke, haemorrhagic event, intracranial haemorrhage, cardiovascular death and hospital admission. Results: A total of 9306 patients were included. The distribution of patients with no, mild, moderate and severe renal impairment at baseline were 16.9%, 49.3%, 30% and 3.8%, respectively. AF patients with impaired renal function were older, more likely to be females, had worse cardiac imaging parameters and multiple comorbidities. Among patients with an indication for anticoagulation, prescription of these agents was reduced in those with severe renal impairment, p <.001. Over 24 months, impaired renal function was associated with significantly greater incidence of the primary composite outcome and all secondary outcomes. Multivariable Cox regression analysis demonstrated an inverse relationship between eGFR and the primary outcome (HR 1.07 [95% CI, 1.01â1.14] per 10 ml/min/1.73 m2 decrease), that was most notable in patients with eGFR <30 ml/min/1.73 m2 (HR 2.21 [95% CI, 1.23â3.99] compared to eGFR â„90 ml/min/1.73 m2). Conclusion: A significant proportion of patients with AF suffer from concomitant renal impairment which impacts their overall management. Furthermore, renal impairment is an independent predictor of major adverse events including thromboembolism, major bleeding, acute coronary syndrome and all-cause death in patients with AF
Clinical complexity and impact of the ABC (Atrial fibrillation Better Care) pathway in patients with atrial fibrillation: a report from the ESC-EHRA EURObservational Research Programme in AF General Long-Term Registry
Background: Clinical complexity is increasingly prevalent among patients with atrial fibrillation (AF). The âAtrial fibrillation Better Careâ (ABC) pathway approach has been proposed to streamline a more holistic and integrated approach to AF care; however, there are limited data on its usefulness among clinically complex patients. We aim to determine the impact of ABC pathway in a contemporary cohort of clinically complex AF patients. Methods: From the ESC-EHRA EORP-AF General Long-Term Registry, we analysed clinically complex AF patients, defined as the presence of frailty, multimorbidity and/or polypharmacy. A K-medoids cluster analysis was performed to identify different groups of clinical complexity. The impact of an ABC-adherent approach on major outcomes was analysed through Cox-regression analyses and delay of event (DoE) analyses. Results: Among 9966 AF patients included, 8289 (83.1%) were clinically complex. Adherence to the ABC pathway in the clinically complex group reduced the risk of all-cause death (adjusted HR [aHR]: 0.72, 95%CI 0.58â0.91), major adverse cardiovascular events (MACEs; aHR: 0.68, 95%CI 0.52â0.87) and composite outcome (aHR: 0.70, 95%CI: 0.58â0.85). Adherence to the ABC pathway was associated with a significant reduction in the risk of death (aHR: 0.74, 95%CI 0.56â0.98) and composite outcome (aHR: 0.76, 95%CI 0.60â0.96) also in the high-complexity cluster; similar trends were observed for MACEs. In DoE analyses, an ABC-adherent approach resulted in significant gains in event-free survival for all the outcomes investigated in clinically complex patients. Based on absolute risk reduction at 1 year of follow-up, the number needed to treat for ABC pathway adherence was 24 for all-cause death, 31 for MACEs and 20 for the composite outcome. Conclusions: An ABC-adherent approach reduces the risk of major outcomes in clinically complex AF patients. Ensuring adherence to the ABC pathway is essential to improve clinical outcomes among clinically complex AF patients
Impact of clinical phenotypes on management and outcomes in European atrial fibrillation patients: a report from the ESC-EHRA EURObservational Research Programme in AF (EORP-AF) General Long-Term Registry
Background: Epidemiological studies in atrial fibrillation (AF) illustrate that clinical complexity increase the risk of major adverse outcomes. We aimed to describe European AF patients\u2019 clinical phenotypes and analyse the differential clinical course. Methods: We performed a hierarchical cluster analysis based on Ward\u2019s Method and Squared Euclidean Distance using 22 clinical binary variables, identifying the optimal number of clusters. We investigated differences in clinical management, use of healthcare resources and outcomes in a cohort of European AF patients from a Europe-wide observational registry. Results: A total of 9363 were available for this analysis. We identified three clusters: Cluster 1 (n = 3634; 38.8%) characterized by older patients and prevalent non-cardiac comorbidities; Cluster 2 (n = 2774; 29.6%) characterized by younger patients with low prevalence of comorbidities; Cluster 3 (n = 2955;31.6%) characterized by patients\u2019 prevalent cardiovascular risk factors/comorbidities. Over a mean follow-up of 22.5 months, Cluster 3 had the highest rate of cardiovascular events, all-cause death, and the composite outcome (combining the previous two) compared to Cluster 1 and Cluster 2 (all P <.001). An adjusted Cox regression showed that compared to Cluster 2, Cluster 3 (hazard ratio (HR) 2.87, 95% confidence interval (CI) 2.27\u20133.62; HR 3.42, 95%CI 2.72\u20134.31; HR 2.79, 95%CI 2.32\u20133.35), and Cluster 1 (HR 1.88, 95%CI 1.48\u20132.38; HR 2.50, 95%CI 1.98\u20133.15; HR 2.09, 95%CI 1.74\u20132.51) reported a higher risk for the three outcomes respectively. Conclusions: In European AF patients, three main clusters were identified, differentiated by differential presence of comorbidities. Both non-cardiac and cardiac comorbidities clusters were found to be associated with an increased risk of major adverse outcomes
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