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标题: 如何表明NRR中的HER被zhi [打印本页]

作者
Author:
zzm925427892    时间: 2019-9-18 16:45
标题: 如何表明NRR中的HER被zhi
NRR中,如何表明HER反应被抑制了呢?
文献中,
As shown in Figure 6a, on W@C3N4 and Pt@C3N4, as H
strongly interacts with the W and Pt atoms, the HER process
is hindered by the Heyrovskey step (H* + H+ + e− → H2),
the free energy barriers (0.68 and 0.78 eV, respectively) are
larger than the PDS barriers for NRR on these two SACs
(0.35 and 0.64 eV). Thus, W@C3N4 and Pt@C3N4 exhibit high
suppressing effect on HER during the NRR process.
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这种过程是如何计算的呢?
还有一种是计算ΔGH和ΔGNN的比较大小,这中是具体怎么计算呢?

谢谢谢谢大家






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