Novel two-dimensional photocatalyst SnN3 for overall water splitting with enhanced visible-light absorption

  title={Novel two-dimensional photocatalyst SnN3 for overall water splitting with enhanced visible-light absorption},
  author={Shengyao Wu and Yanqing Shen and Xu Gao and Yanyan Ma and Zhongxiang Zhou},
  journal={arXiv: Materials Science},
We propose a novel excellent two-dimensional photocatalyst SnN3 monolayer using first-principles calculations. The stability of SnN3 monolayer have been examined via formation energy, phonon spectrum and ab initio molecular dynamics calculations. Large optical absorption capacity plays significant role in the enhancement of photocatalytic splitting of water. The SnN3 monolayer have ultra-high optical absorption capacity in visible region, which is as three and four times as that of SnP3 and… 

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