King Abdullah University of Science and Technology

About: King Abdullah University of Science and Technology is a education organization based out in Jeddah, Saudi Arabia. It is known for research contribution in the topics: Catalysis & Membrane. The organization has 6221 authors who have published 22019 publications receiving 625706 citations. The organization is also known as: KAUST.

Ultralong cycle stability of aqueous zinc-ion batteries with zinc vanadium oxide cathodes.

Abstract: Rechargeable aqueous zinc-ion batteries are promising candidates for large-scale energy storage but are plagued by the lack of cathode materials with both excellent rate capability and adequate cycle life span. We overcome this barrier by designing a novel hierarchically porous structure of Zn-vanadium oxide material. This Zn0.3V2O5·1.5H2O cathode delivers a high specific capacity of 426 mA·h g-1 at 0.2 A g-1 and exhibits an unprecedented superlong-term cyclic stability with a capacity retention of 96% over 20,000 cycles at 10 A g-1. Its electrochemical mechanism is elucidated. The lattice contraction induced by zinc intercalation and the expansion caused by hydronium intercalation cancel each other and allow the lattice to remain constant during charge/discharge, favoring cyclic stability. The hierarchically porous structure provides abundant contact with electrolyte, shortens ion diffusion path, and provides cushion for relieving strain generated during electrochemical processes, facilitating both fast kinetics and long-term stability.

Analytical Modeling of Mode Selection and Power Control for Underlay D2D Communication in Cellular Networks

Abstract: Device-to-device (D2D) communication enables the user equipments (UEs) located in close proximity to bypass the cellular base stations (BSs) and directly connect to each other, and thereby, offload traffic from the cellular infrastructure. D2D communication can improve spatial frequency reuse and energy efficiency in cellular networks. This paper presents a comprehensive and tractable analytical framework for D2D-enabled uplink cellular networks with a flexible mode selection scheme along with truncated channel inversion power control. The developed framework is used to analyze and understand how the underlaying D2D communication affects the cellular network performance. Through comprehensive numerical analysis, we investigate the expected performance gains and provide guidelines for selecting the network parameters.

Can seaweed farming play a role in climate change mitigation and adaptation

Abstract: Seaweed aquaculture, the fastest-growing component of global food production, offers a slate of opportunities to mitigate and adapt to climate change. Seaweed farms release carbon that maybe buried in sediments or exported to the deep sea, therefore acting as a CO2 sink. The crop can also be used, in total or in part, for biofuel production, with a potential CO2 mitigation capacity, in terms of avoided emissions from fossil fuels, of about 1500 tons CO2 km-2 year-1. Seaweed aquaculture can also help reduce the emissions from agriculture, by improving soil quality substituting synthetic fertilizer and, when included in cattle fed, lowering methane emissions from cattle. Seaweed aquaculture contributes to climate change adaptation by damping wave energy and protecting shorelines, and by elevating pH and supplying oxygen to the waters, thereby locally reducing the effects of ocean acidification and de-oxygenation. The scope to expand seaweed aquaculture is, however, limited by the availability of suitable areas and competition for suitable areas with other uses, engineering systems capable of coping with rough conditions offshore and an increasing market demand for seaweed products, among other factors. Despite these limitations, seaweed farming practices can be optimized to maximize climate benefits, which may, if economically compensated, improve the income of seaweed farmers.

Cu–Sn Bimetallic Catalyst for Selective Aqueous Electroreduction of CO2 to CO

Abstract: We report a selective and stable electrocatalyst utilizing non-noble metals consisting of Cu and Sn for the efficient and selective reduction of CO2 to CO over a wide potential range. The bimetallic electrode was prepared through the electrodeposition of Sn species on the surface of oxide-derived copper (OD-Cu). The Cu surface, when decorated with an optimal amount of Sn, resulted in a Faradaic efficiency (FE) for CO greater than 90% and a current density of −1.0 mA cm–2 at −0.6 V vs RHE, compared to the CO FE of 63% and −2.1 mA cm–2 for OD-Cu. Excess Sn on the surface caused H2 evolution with a decreased current density. X-ray diffraction (XRD) suggests the formation of Cu–Sn alloy. Auger electron spectroscopy of the sample surface exhibits zerovalent Cu and Sn after the electrodeposition step. Density functional theory (DFT) calculations show that replacing a single Cu atom with a Sn atom leaves the d-band orbitals mostly unperturbed, signifying no dramatic shifts in the bulk electronic structure. Howev...

Communication: An improved linear scaling perturbative triples correction for the domain based local pair-natural orbital based singles and doubles coupled cluster method [DLPNO-CCSD(T)]

Abstract: In this communication, an improved perturbative triples correction (T) algorithm for domain based local pair-natural orbital singles and doubles coupled cluster (DLPNO-CCSD) theory is reported. In our previous implementation, the semi-canonical approximation was used and linear scaling was achieved for both the DLPNO-CCSD and (T) parts of the calculation. In this work, we refer to this previous method as DLPNO-CCSD(T0) to emphasize the semi-canonical approximation. It is well-established that the DLPNO-CCSD method can predict very accurate absolute and relative energies with respect to the parent canonical CCSD method. However, the (T0) approximation may introduce significant errors in absolute energies as the triples correction grows up in magnitude. In the majority of cases, the relative energies from (T0) are as accurate as the canonical (T) results of themselves. Unfortunately, in rare cases and in particular for small gap systems, the (T0) approximation breaks down and relative energies show large deviations from the parent canonical CCSD(T) results. To address this problem, an iterative (T) algorithm based on the previous DLPNO-CCSD(T0) algorithm has been implemented [abbreviated here as DLPNO-CCSD(T)]. Using triples natural orbitals to represent the virtual spaces for triples amplitudes, storage bottlenecks are avoided. Various carefully designed approximations ease the computational burden such that overall, the increase in the DLPNO-(T) calculation time over DLPNO-(T0) only amounts to a factor of about two (depending on the basis set). Benchmark calculations for the GMTKN30 database show that compared to DLPNO-CCSD(T0), the errors in absolute energies are greatly reduced and relative energies are moderately improved. The particularly problematic case of cumulene chains of increasing lengths is also successfully addressed by DLPNO-CCSD(T).