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Title: Atomic layer deposition in porous electrodes: A pore-scale modeling study

Journal Article · · Chemical Engineering Journal
 [1];  [2];  [3]; ORCiD logo [4];  [3];  [2]
  1. Xi'an Jiaotong Univ., Xi'an (China); Virginia Polytechnic Inst. and State Univ. (Virginia Tech), Blacksburg, VA (United States); Nanyang Technological Univ. (Singapore)
  2. Xi'an Jiaotong Univ., Xi'an (China)
  3. Virginia Polytechnic Inst. and State Univ. (Virginia Tech), Blacksburg, VA (United States)
  4. Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
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Coating porous electrodes of Li-ion batteries with functional materials by atomic layer deposition (ALD) can enhance their capacity stability. Because of the complex microstructure of the porous electrodes, predicting the required exposure time of the precursors for achieving a desired coating and the coating characteristics for a given exposure time remains difficult. Here, a three-dimensional (3D) pore-scale lattice Boltzmann model is developed to investigate the reactive transport processes during the ALD of reconstructed electrodes and to assess the accuracy of one-dimensional (1D) mean-field models. The effects of the hierarchical structure of pores and their connectivity on the coating process of ALD are investigated and the detailed coating characteristics in the electrodes are resolved. Electrodes with smaller pore sizes requires a longer exposure time to achieve full coating. At the same depth within an electrode, the smaller pores are coated more slowly than the wider pores (especially at high Damkohler numbers) and the coating speed of well-connected pores are faster than that of poorly connected pores. Furthermore, simulations also reveal that the 1D mean-field model can capture the average coating characteristics reasonably well when pores in the electrodes are well connected but may perform poorly if the pores are poorly connected.

Research Organization:
Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
Sponsoring Organization:
USDOE Laboratory Directed Research and Development (LDRD) Program
Grant/Contract Number:
89233218CNA000001
OSTI ID:
1532726
Alternate ID(s):
OSTI ID: 1694134
Report Number(s):
LA-UR-19-22957
Journal Information:
Chemical Engineering Journal, Vol. 378, Issue C; ISSN 1385-8947
Publisher:
ElsevierCopyright Statement
Country of Publication:
United States
Language:
English
Citation Metrics:
Cited by: 20 works
Citation information provided by
Web of Science

Figures / Tables (16)

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Related Subjects

25 ENERGY STORAGE
Energy Sciences
Porous electrodes
Atomic layer deposition
Reactive transport
Secondary pores
Pore connectivity