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Gas detection for NO2 and SO2 based on tape-heme monolayer

Guo, GF; Li, RY; Wei, D; Feng, Z; Ma, YQ; Tang, YA; Dai, XQ

Dai, XQ (corresponding author), Henan Normal Univ, Sch Phys, Xinxiang 453007, Henan, Peoples R China.

MOLECULAR PHYSICS, 2021; 119 (14):

Abstract

First-principles calculations based on spin-polarised density functional theory have been used here to investigate the structural, electronic and magn......

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