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A density functional theory investigation of the adsorption of CH4, CO, CO2, H2, H2O, N2, NH3, NO, and NO2 on Mg20 and Mg19Zn clusters 基于密度泛函理论对CH4、CO、CO2、H2、H2O、N2、NH3、NO和NO2在Mg20和Mg19Zn团簇上的吸附研究 Mohammadi, Mohsen Doust; Qadir, Karwan Wasman; Abdullah, Hewa Y. 分享 收藏
Modelling gas adsorption onto Al12(Zn)N12 surfaces: A theoretical study of CH4, CO, CO2, H2O, N2, NH3, NO, NO2, O2, and SO2 interactions 模拟气体在Al12(Zn)N12表面的吸附:CH4、CO、CO2、H2O、N2、NH3、NO、NO2、O2和SO2相互作用的理论研究 Qadir, Karwan Wasman; Mohammadi, Mohsen Doust; Abdullah, Hewa Y. 分享 收藏
Surface modification of transition metals (TM: Mn, Fe, Co) decorated Pt-doped carbon quantum dots (Pt@CQDs) nanostructure as nonenzymatic sensors for nitrotyrosine (a biomarker for Alzheimer): Perspective from density functional theory (vol 174, 108245, 2024) Benjamin, Innocent; Ekpong, Bassey O.; Abdullah, Hewa Y.; Agwamba, Ernest C.; Anyambula, Isaac A.; Adedapo, S. Adeyinka; Louis, Hitler 分享 收藏
Adsorption mechanism of CO, CO2, NO, NO2, and SO2 gases onto AlNNT(m, n)_k, (m=5, 7; n=0, 5, 7; k=3-9) Qadir, Karwan Wasman; Mohammadi, Mohsen Doust; Abdullah, Hewa Y. 分享 收藏
Graphene oxide nanoparticles synthesized via hummers method and investigation of structural, electrical, and gas-sensing properties of screen-printed thick films Mandawade, Satish S.; V. Wagh, Rajendra; Yewale, Chetan R.; Qadir, Karwan Wasman; Abdullah, Hewa Y.; Alharbi, Talal; Husain, Dilawar; Tupe, Umesh J.; Naeem, Sajid; V. Patil, Arun 分享 收藏
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Adsorption, excitation analysis, and sensor properties of heteroatoms (S, P, Si) encapsulated gallium nitride nanotube for hexanol application: A computational approach Oyo-Ita, Inyang; Nsofor, Victory C.; Alshdoukhi, Ibtehaj F.; Abdullah, Hewa Y.; Sfina, N.; Asuquo, Bassey B.; Gber, Terkumbur E.; Adeyinka, Adedapo S.; Orosun, Muyiwa M.; Louis, Hitler 分享 收藏
Phosphorus encapsulated gallium nitride and aluminum nitride nanotubes as nonenzymatic sensors for fructose, glucose, and xylose sugars as biomarkers for diabetes-mellitus: Outlook from computational study Imojara, Anna; Ishegbe, Joyce E.; Abdullah, Hewa; Edet, Henry O.; Gber, Terkumbur E.; Eba, Maxwell-Borjor A.; Pembere, Anthony M. S.; Louis, Hitler 分享 收藏
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Evaluating the detection potential of C59X fullerenes (X = C, Si, Ge, B, Al, Ga, N, P, and As) for H2SiCl2 molecule Mohammadi, Mohsen Doust; Abdullah, Hewa Y.; Louis, Hitler; Etim, Emmanuel E.; Edet, Henry O. 分享 收藏
Hexachlorobenzene (HCB) adsorption onto the surfaces of C60, C59Si, and C59Ge: Insight from DFT, QTAIM, and NCI 六氯苯 (HCB) 在C60,C59Si和C59Ge表面上的吸附: DFT,QTAIM和NCI的见解 Mohammadi, Mohsen D.; Abdullah, Hewa Y.; Louis, Hitler; Etim, Emmanuel E.; Edet, Henry O.; Godfrey, Obinna C. 分享 收藏
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