The nitromethane-facilitated decomposition of dimethyl ether yielding surface methoxy species
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The output files from ab initio molecular dynamics (AIMD) simulations of methanol conversion catalyzed by H-ZSM-5 zeolite, along with the structural coordinate files obtained from static density functional theory (DFT) calculations, demonstrate the critical role of nitromethane in facilitating the decomposition of dimethyl ether (DME).
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figshare创建时间：
2025-07-25
