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5. First-principles Studies of Photocatalytic HER Activity about TiO2(001)Surface Loaded with Metal Ato

First-principles Studies of Photocatalytic HER Activity about TiO2(001)Surface Loaded with Metal Ato

来源 :第十三届全国计算机化学学会会议 | 被引量 : 0次 | 上传用户：asdf200201

【摘 要】

：

　　According to Sabatier principle,12 13 5 6 7 8 9 10 11 4a 1 2 3 4 should be zero,under this condition the overall reaction has the maximum rate.We analyzed t

【作 者】

：

FengshuangHan;ZhaohuiZhou;LiejinGuo; 

【机 构】

：

State Key Laboratory of Multiphase Flow in Power Engineering,School of Energy and Power Engineering,

【出 处】

：

第十三届全国计算机化学学会会议

【发表日期】

：

2015年期

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论文部分内容阅读

　　According to Sabatier principle,12 13 5 6 7 8 9 10 11 4a 1 2 3 4 should be zero,under this condition the overall reaction has the maximum rate.We analyzed the influence on HER activity by metal M(M = Ag、Au、Pd and Pt)adsorbing on the TiO2(001)surface based on the density function theory(DFT)of first principle.

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