Chengyu Han's research while affiliated with Xi'an Jiaotong University and other places

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Publications (1)


Unit cell structure of PbCl2, PbCO3, PbSO4, Pb3(PO4)2, Pb3Fe2(PO4)4, and PbAl2O4.
Band structure and state density distribution of PbCl2, PbCO3, PbSO4, Pb3(PO4)2, Pb3Fe2(PO4)4, and PbAl2O4(Note: 0 eV represents its corresponding Fermi level, in which Γ in abscissa is point Gamma, namely the center of Brillouin region).
Energy parameters of PbCl 2 , PbCO 3 , PbSO 4 , Pb 3 (PO 4 ) 2 , Pb 3 Fe 2 (PO 4 ) 4 and PbAl 2 O 4.
Active mass fraction of lead after passivating agent.
Study on the physical and chemical properties of lead passivating agent in soil
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October 2023

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217 Reads

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1 Citation

Scientific Reports

Chengyu Han

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Juan Li

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Jianglong Shen

With the rapid development of industry, heavy metal pollution has seriously damaged the health of soil, and heavy metals spread through the food chain, posing a threat to human health. The firm existence of heavy metals in soil under earthy conditions is a center trouble faced by soil dense metal pollution solidification and correction technology. However, the existing investigation results are mostly controlled to soil passivation experiments using various materials. Macroscopically, heavy metal passivation materials have been selected, but the intrinsic mechanisms of different compound functional groups in soil passivation have been ignored. With the common heavy metal ion Pb ²⁺ as an example, the stability of the combination of heavy metal ions and common ion groups in soil was analyzed in this study by using quantum chemical calculation as the theoretical guidance. The results show that SO 4 ²⁻ and PO 4 ³⁻ , as functional groups of passivating agents, are used to control lead pollution and have been verified to have good effects. When the pollution is particularly serious and not easy to passivation and precipitation, Fe ³⁺ can be considered to enhance the passivation effect.

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Citations (1)


... According to previous DFT calculations, the ambient-pressure phase PbCO 3 -Pnma exhibits a band gap of B3.3 eV. 35,36 According to our calculations, the post-aragonite structure of PbCO 3 has an indirect band gap of 3.51-2.55 eV at 30-100 GPa ( Fig. S5 and S6, ESI †). ...

Reference:

Pb 2 [C 2 O 6 ]- P -3 m 1: New insight into high pressure behavior of carbonates
Study on the physical and chemical properties of lead passivating agent in soil

Scientific Reports