Journal article
Dynamic Speciation Modeling to Guide Selection of Complexing Agents for Chemical Bath Deposition: Case Study for ZnS Thin Films
Crystal growth & design, v 15(10), pp 4893-4900
01 Oct 2015
Featured in Collection : UN Sustainable Development Goals @ Drexel
Abstract
The dynamic behavior of complexing agents often governs the kinetics of chemical bath deposition (CBD), but dynamics are frequently overlooked in favor of a more simplified description of only initial conditions. Here we demonstrate the importance of completing agent dynamics using a combination of equilibrium speciation modeling and experiments for the case of ZnS thin films grown with three common complexing agents: ethylenediaminetetraacetate (EDTA), nitrilotriacetate (NTA), and citrate, using a reference recipe that ensured fair comparison. Complexing agents control the deposition rate by limiting the availability of free cations. Speciation modeling was used to simulate the free Zn2+ concentration as a function of total Zn2+ for baths with the individual agents. On the basis of the primary stability constants, deposition rate was predicted to decrease abruptly with reaction time for the EDTA bath, whereas baths with NTA or citrate should provide deposition rates that decrease only slightly over time. The predicted deposition profiles of the three baths were observed experimentally using a continuous-flow microreactor for CBD and were supported by the measured total Zn2+ concentration profiles. Understanding and predicting the dynamic behavior of completing agents by simulation enables strategic design of CBD processes for many material systems.
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Details
- Title
- Dynamic Speciation Modeling to Guide Selection of Complexing Agents for Chemical Bath Deposition: Case Study for ZnS Thin Films
- Creators
- Borirak Opasanont - Drexel UniversityJason B. Baxter - Drexel University
- Publication Details
- Crystal growth & design, v 15(10), pp 4893-4900
- Publisher
- American Chemical Society; Washington, DC
- Number of pages
- 8
- Grant note
- CMMI-1000111 / National Science Foundation (NSF) 1000111 / Directorate For Engineering; National Science Foundation (NSF); NSF - Directorate for Engineering (ENG)
- Resource Type
- Journal article
- Language
- English
- Academic Unit
- Chemical and Biological Engineering
- Web of Science ID
- WOS:000362628800022
- Scopus ID
- 2-s2.0-84943550487
- Other Identifier
- 991019169815604721
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InCites Highlights
Data related to this publication, from InCites Benchmarking & Analytics tool:
- Web of Science research areas
- Chemistry, Multidisciplinary
- Crystallography
- Materials Science, Multidisciplinary