Understanding catalytic reactions over zeolites: A density functional theory study of selective catalytic reduction of NOX by NH3 over Cu-SAPO-34

Metal exchanged CHA-type (SAPO-34 and SSZ-13) zeolites are promising catalysts for selective catalytic reduction (SCR) of NOx by NH3. However, the understanding of the process at the molecular level is still limited, which hinders the identification of its mechanism and the design of more efficient zeolite catalysts. In this work, modelling the reaction over Cu-SAPO-34, a periodic density functional theory (DFT) study of NH3-SCR was performed using hybrid functional with the consideration of van der Waals (vdW) interactions. A mechanism with a low N–N coupling barrier is proposed to account for the activation of NO. The redox cycle of Cu2+ and Cu+, which is crucial for the SCR process, is identified with detailed analyses. Besides, the decomposition of NH2NO is shown to readily occur on the Brønsted acid site by a hydrogen push-pull mechanism, confirming the collective efforts of Brønsted acid and Lewis acid (Cu2+) sites. The special electronic and structural properties of Cu-SAPO-34 are demonstrated to play an essential role the reaction, which may have a general implication on the understanding of zeolite catalysis.

Effect of channel aging on the sum rate of uplink massive MIMO systems

This paper investigates the achievable sum-rate of uplink massive multiple-input multiple-output (MIMO) systems considering a practical channel impairment, namely, aged channel state information (CSI). Taking into account both maximum ratio combining (MRC) and zero-forcing (ZF) receivers at the base station, we present tight closed-form lower bounds on the sum-rate for both receivers, which provide efficient means to evaluate the sum-rate of the system. More importantly, we characterize the impact of channel aging on the power scaling law. Specifically, we show that the transmit power of each user can be scaled down by 1/√(M), which indicates that aged CSI does not affect the power scaling law; instead, it causes only a reduction on the sum rate by reducing the effective signal-to-interference-and-noise ratio (SINR).

Threshold Magic: Impressionism and the Domestic Interior

This article focuses on the liminal space of the threshold in paintings by female Impressionists. It engages with Cultural theory and History of Design in order to offer a new interpretation of domestic spaces