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Supareak Prasertdam. Computational study of nickel oxide for ammonia electrooxidation reaction via density functional theory. (). King Mongkut's University of Technology North Bangkok. Central Library. : , 2025.
Computational study of nickel oxide for ammonia electrooxidation reaction via density functional theory
Name: Sirapat Tiwtusthada
Organization :
Chulalongkorn University. Center of Excellence on Catalysis and Catalytic Reaction Engineering (CECC)
Name: Meena Rittiruam
Organization :
Walailak University. School of Science
Name: Supareak Prasertdam
Organization :
Chulalongkorn University. Center of Excellence on Catalysis and Catalytic Reaction Engineering (CECC)
Email :
supareak.p@chula.ac.th
LCSH:
Nickel oxide
LCSH:
Electrocatalysis
LCSH:
Density functionals
Abstract:
Nickel oxide (NiO) is a promising metal-oxide-based catalyst for the electrooxidation of ammonia (NH₃) into nitrogen gas (N₂), a reaction that holds potential for clean energy applications and wastewater treatment. This study utilizes density functional theory to investigate the electrochemical oxidation of NH₃ on the NiO (200) surface under gaseous and alkaline aqueous (KOH) conditions. Two mechanistic pathways, Oswin-Salomon (O-S) and Gerischer-Mauerer (G-M), were explored to determine the most energetically favorable route for NH₃ conversion. Key reaction intermediates, adsorption energies, and activation barriers were used to elucidate the reaction mechanism and to identify the rate-determining step. The study highlights the role of the alkaline aqueous environment and thermodynamic favorability in intermediate stabilization. The findings provide critical insights into the electrocatalytic performance of NiO and pave the way for the discovery of more efficient catalysts for NH₃ electrooxidation
King Mongkut's University of Technology North Bangkok. Central Library
Address:
BANGKOK
Email:
library@kmutnb.ac.th
Created:
2025
Modified:
2025-10-29
Issued:
2025-10-29
บทความ/Article
application/pdf
BibliograpyCitation :
In The Chemical Society of Thailand under the Patronage of Professor Dr. Her Royal Highness Princess Chulabhorn Krom Phra Srisavangavadhana and Suranaree University of Technology. Institute of Science. School of Chemistry. Pure and Applied Chemistry International Conference 2025 (PACCON 2025) (pp.740-746). Bangkok : The Chemical Society of Thailand under the Patronage of Professor Dr. Her Royal Highness Princess Chulabhorn Krom Phra Srisavangavadhana in association with the School of Chemistry, Institute of Science, Suranaree University of Technology, 2025
eng
©copyrights King Mongkut's University of Technology North Bangkok
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0.035982 วินาที
Sirapat Tiwtusthada
| Title | Contributor | Type |
|---|---|---|
| Computational study of nickel oxide for ammonia electrooxidation reaction via density functional theory
มหาวิทยาลัยเทคโนโลยีพระจอมเกล้าพระนครเหนือ Sirapat Tiwtusthada;Meena Rittiruam;Supareak Prasertdam | บทความ/Article |
Meena Rittiruam
| Title | Contributor | Type |
|---|---|---|
| A comparative study on effects of water adsorption during water-gas shift reaction of PT-based metal and high-entropy alloy catalysts via density functional theory
มหาวิทยาลัยเทคโนโลยีพระจอมเกล้าพระนครเหนือ Suphawich Boonchuay;Tinnakorn Saelee;Meena Rittiruam;Supareak Praserthdam;Piyasan Praserthdam | บทความ/Article | |
| Density functional theory investigation on adsorption energy of OOH, O and OH on Pd-doped alpha-MnO2 during oxygen reduction reaction in rechargeable Zn-air Batteries
มหาวิทยาลัยเทคโนโลยีพระจอมเกล้าพระนครเหนือ Nuttanon Aumnongpho;Meena Rittiruam;Tinnakorn Saelee;Supareak Praserthdam;Piyasan Praserthdam | บทความ/Article | |
| A density functional theory study on the stability of Gamma-Al2O3-supported Ni-based dry reforming catalysts affected by Mg and La Promoter
มหาวิทยาลัยเทคโนโลยีพระจอมเกล้าพระนครเหนือ Nuttapat Kerdprasit;Tinnakorn Saelee;Meena Rittiruam;Supareak Prasertdam;Piyasan Praserthdam | บทความ/Article | |
| A density functional theory study on how external oxygen enhances the Fe2O3 catalyst stability during hydrogen sulfide removal process
มหาวิทยาลัยเทคโนโลยีพระจอมเกล้าพระนครเหนือ Sorawee Setasuban;Tinnakorn Saelee;Meena Rittiruam;Supareak Praserthdam;Piyasan Praserthdam | บทความ/Article | |
| Computational study of nickel oxide for ammonia electrooxidation reaction via density functional theory
มหาวิทยาลัยเทคโนโลยีพระจอมเกล้าพระนครเหนือ Sirapat Tiwtusthada;Meena Rittiruam;Supareak Prasertdam | บทความ/Article |
Supareak Prasertdam
| Title | Contributor | Type |
|---|---|---|
| A density functional theory study on the stability of Gamma-Al2O3-supported Ni-based dry reforming catalysts affected by Mg and La Promoter
มหาวิทยาลัยเทคโนโลยีพระจอมเกล้าพระนครเหนือ Nuttapat Kerdprasit;Tinnakorn Saelee;Meena Rittiruam;Supareak Prasertdam;Piyasan Praserthdam | บทความ/Article | |
| Computational study of nickel oxide for ammonia electrooxidation reaction via density functional theory
มหาวิทยาลัยเทคโนโลยีพระจอมเกล้าพระนครเหนือ Sirapat Tiwtusthada;Meena Rittiruam;Supareak Prasertdam | บทความ/Article |