Effect of Ir sandwich layers on thermal stabilities of Pd-Ir-Pt core-sandwich-shell nanoparticles: a molecular dynamics simulation
During the last few decades, Pt core-shell nanoparticles comprising of noble and non-noble metals, with their low cost and much improved catalytic performances, have attracted a lot of interest in research. However, electrochemical instability of Pt can cause a lack of catalytic activity, and contin...
Main Author: | |
---|---|
Other Authors: | |
Format: | Final Year Project (FYP) |
Language: | English |
Published: |
Nanyang Technological University
2022
|
Subjects: | |
Online Access: | https://hdl.handle.net/10356/156267 |
_version_ | 1811683846198919168 |
---|---|
author | Chua, Wei Cheng |
author2 | Alfred Tok Iing Yoong |
author_facet | Alfred Tok Iing Yoong Chua, Wei Cheng |
author_sort | Chua, Wei Cheng |
collection | NTU |
description | During the last few decades, Pt core-shell nanoparticles comprising of noble and non-noble metals, with their low cost and much improved catalytic performances, have attracted a lot of interest in research. However, electrochemical instability of Pt can cause a lack of catalytic activity, and continuous loss of surface area that is active.[1] Worldwide organizations such as U.S. Department of Energy (DoE),[2,3] Japanese New Energy and Industrial Technology Development Organization (NEDO),[4] have set high standards which create the need to increase the electrocatalysts’ activity and durability.[5] Coupled with the increased need for clean and efficient power, there is real need to look for more ways to constantly improve the catalyst for better performance and durability. One of the ways to further improve the catalyst is the addition of a sandwich layer between the core and the shell to increase the stability which therefore increasing the nanoparticle catalyst’s durability. Iridium(Ir) is being chosen to be that sandwich layer due to its high melting point. Therefore, this project aims to find out how Ir sandwiched bimetallic nanoparticles will affect the thermal stability of the nanoparticle. The nanoparticle we will be using is Pd as a core and Pt as a shell. LAMMPS will be used to code the program and will be run with the help of the National Supercomputing Centre (NSCC). The result shows that as the number of layers of Ir increase, there is indeed an increase in the thermal stability. However, for 4 and 6nm nanoparticles, as the number of layers of Ir increase, the increments in the melting point started to decrease. Therefore, we can conclude that by adding the sandwich layer of Ir, the thermal stability of the core-shell nanoparticle Pd-Pt did increase. For future plan, other materials or alloys can be tested to be the sandwich material aiming to reduce the cost of the catalyst and to further improve the effectiveness and stability of the core-shell nanoparticle. |
first_indexed | 2024-10-01T04:19:13Z |
format | Final Year Project (FYP) |
id | ntu-10356/156267 |
institution | Nanyang Technological University |
language | English |
last_indexed | 2024-10-01T04:19:13Z |
publishDate | 2022 |
publisher | Nanyang Technological University |
record_format | dspace |
spelling | ntu-10356/1562672022-04-13T13:45:31Z Effect of Ir sandwich layers on thermal stabilities of Pd-Ir-Pt core-sandwich-shell nanoparticles: a molecular dynamics simulation Chua, Wei Cheng Alfred Tok Iing Yoong School of Materials Science and Engineering MIYTok@ntu.edu.sg Engineering::Materials::Nanostructured materials During the last few decades, Pt core-shell nanoparticles comprising of noble and non-noble metals, with their low cost and much improved catalytic performances, have attracted a lot of interest in research. However, electrochemical instability of Pt can cause a lack of catalytic activity, and continuous loss of surface area that is active.[1] Worldwide organizations such as U.S. Department of Energy (DoE),[2,3] Japanese New Energy and Industrial Technology Development Organization (NEDO),[4] have set high standards which create the need to increase the electrocatalysts’ activity and durability.[5] Coupled with the increased need for clean and efficient power, there is real need to look for more ways to constantly improve the catalyst for better performance and durability. One of the ways to further improve the catalyst is the addition of a sandwich layer between the core and the shell to increase the stability which therefore increasing the nanoparticle catalyst’s durability. Iridium(Ir) is being chosen to be that sandwich layer due to its high melting point. Therefore, this project aims to find out how Ir sandwiched bimetallic nanoparticles will affect the thermal stability of the nanoparticle. The nanoparticle we will be using is Pd as a core and Pt as a shell. LAMMPS will be used to code the program and will be run with the help of the National Supercomputing Centre (NSCC). The result shows that as the number of layers of Ir increase, there is indeed an increase in the thermal stability. However, for 4 and 6nm nanoparticles, as the number of layers of Ir increase, the increments in the melting point started to decrease. Therefore, we can conclude that by adding the sandwich layer of Ir, the thermal stability of the core-shell nanoparticle Pd-Pt did increase. For future plan, other materials or alloys can be tested to be the sandwich material aiming to reduce the cost of the catalyst and to further improve the effectiveness and stability of the core-shell nanoparticle. Bachelor of Engineering (Materials Engineering) 2022-04-13T13:15:39Z 2022-04-13T13:15:39Z 2022 Final Year Project (FYP) Chua, W. C. (2022). Effect of Ir sandwich layers on thermal stabilities of Pd-Ir-Pt core-sandwich-shell nanoparticles: a molecular dynamics simulation. Final Year Project (FYP), Nanyang Technological University, Singapore. https://hdl.handle.net/10356/156267 https://hdl.handle.net/10356/156267 en application/pdf Nanyang Technological University |
spellingShingle | Engineering::Materials::Nanostructured materials Chua, Wei Cheng Effect of Ir sandwich layers on thermal stabilities of Pd-Ir-Pt core-sandwich-shell nanoparticles: a molecular dynamics simulation |
title | Effect of Ir sandwich layers on thermal stabilities of Pd-Ir-Pt core-sandwich-shell nanoparticles: a molecular dynamics simulation |
title_full | Effect of Ir sandwich layers on thermal stabilities of Pd-Ir-Pt core-sandwich-shell nanoparticles: a molecular dynamics simulation |
title_fullStr | Effect of Ir sandwich layers on thermal stabilities of Pd-Ir-Pt core-sandwich-shell nanoparticles: a molecular dynamics simulation |
title_full_unstemmed | Effect of Ir sandwich layers on thermal stabilities of Pd-Ir-Pt core-sandwich-shell nanoparticles: a molecular dynamics simulation |
title_short | Effect of Ir sandwich layers on thermal stabilities of Pd-Ir-Pt core-sandwich-shell nanoparticles: a molecular dynamics simulation |
title_sort | effect of ir sandwich layers on thermal stabilities of pd ir pt core sandwich shell nanoparticles a molecular dynamics simulation |
topic | Engineering::Materials::Nanostructured materials |
url | https://hdl.handle.net/10356/156267 |
work_keys_str_mv | AT chuaweicheng effectofirsandwichlayersonthermalstabilitiesofpdirptcoresandwichshellnanoparticlesamoleculardynamicssimulation |