首页> 外文期刊>Network Daily News >New Networks Study Findings Recently Were Reported by Researchers at Sichuan Uni versity (Screening of Transition Metal Dual-atom Catalysts for Hydrogen Evolutio n Reaction Based On High-throughput Calculation and Searching Surrogate Predicti on ...)
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New Networks Study Findings Recently Were Reported by Researchers at Sichuan Uni versity (Screening of Transition Metal Dual-atom Catalysts for Hydrogen Evolutio n Reaction Based On High-throughput Calculation and Searching Surrogate Predicti on ...)

机译:四川大学的研究人员最近报告了新的网络研究结果(基于高通量计算和搜索替代预测的过渡金属双原子催化剂的氢进化 n 反应筛选......

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By a News Reporter-Staff News Editor at Network Daily Ne ws – Current study results on Networks have been published. According to news r eporting out of Chengdu, People’s Republic of China, by NewsRx editors, research stated, “Dual-atom catalysts for hydrogen evolution reaction have received wide spread attention, but precise screening and prediction of high-performance catal ysts through simple methods remains a challenge. In this study, we perform high- throughput density functional theory (DFT) calculation and machine learning (ML) to screen and predict the transition metal dual-atom catalysts with N-doped gra phene support (TMDACs) for acidic hydrogen evolution reaction (HER).” Financial support for this research came from Sichuan Science and Technology Pro gram.
机译:作者:Network Daily Ne ws 的新闻记者兼新闻编辑 – 目前关于网络的研究结果已经公布。根据 NewsRx 编辑从中华人民共和国成都传出的新闻,研究指出,“用于析氢反应的双原子催化剂已受到广泛关注,但通过简单的方法精确筛选和预测高性能催化 YST 仍然是一个挑战。在这项研究中,我们进行了高通量密度泛函理论 (DFT) 计算和机器学习 (ML),以筛选和预测具有 N 掺杂锭酚载体 (TMDAC) 的过渡金属双原子催化剂用于酸性析氢反应 (HER)。这项研究的财政支持来自四川省科技计划。

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