Study of adsorption behavior of HCN and H2S molecules over undoped and Al-doped zinc oxide monolayer: A DFT approach

Study of adsorption behavior of HCN and H2S molecules over undoped and Al-doped zinc oxide monolayer: A DFT approach

Gas adsorption sensors are of immense importance for detecting and measuring of the presence of toxic gases to prevent health hazards, industrial accidents etc. This work investigates adsorption mechanisms of HCN and H2S on undoped and Al-doped ZnO (Al–ZnO) monolayers by examining the structural, el...

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Bibliographic Details
Main Authors: Dipak Oli, Om Shree Rijal, Ravi Kiran Neupane, Pitamber Shrestha, Shriram Sharma, Leela Pradhan Joshi, Rajendra Parajuli
Format: Article
Language:English
Published: Elsevier 2025-01-01
Series:Results in Surfaces and Interfaces
Subjects:
Adsorption
Band gap
Electronic properties
Magnetic properties
2D materials
Online Access:http://www.sciencedirect.com/science/article/pii/S2666845925000261
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