Ушбу ишга иқтибос қилган ишлар

17 та иш

Иш: The SIESTA method for<i>ab initio</i>order-<i>N</i>materials simulation

Enhancing the H2S and SO2 sensing capabilities of WS2 nanosheets by transition metal (Mo, Nb, Zr) adsorption: A DFT study
Fadhil Faez, Farag M. A. Altalbawy, Prakash Kanjariya +6
МақолаGas Sensing Nanomaterials and SensorsComputational and Theoretical Chemistry20251 иқтибос
ABI
A comparative DFT study of the delivery performance of Au cluster decorated MoSe2 and WSe2 nanosheets for hydroxyurea and nitrosourea anticancer drugs
Farag M.A. Altalbawy, Munthar Kadhim Abosaoda, Suranjana V. Mayani‎ +7
Мақола2D Materials and ApplicationsMaterials Chemistry and Physics20251 иқтибос
ABI
Self-assembly of bis-salphen compounds: from semiflexible chains to webs of nanorings
Sergey Pyrlin, Nicholas D. M. Hine, Arjan W. Kleij +1
МақолаMolecular Junctions and NanostructuresSoft Matter20180 иқтибос
ABI
Hybrid-DFT study of halide perovskites, an energy-efficient material under compressive pressure for piezoelectric applications
L. Celestine, R. Zosiamliana, Lalrin Kima +6
МақолаPerovskite Materials and ApplicationsJournal of Physics Condensed Matter20240 иқтибос
ABI
Adsorption properties of N containing N2O, NH3, NO and NO2 gas molecules on the novel TiO2 doped MoSe2 heterostructure system: A systematic DFT study
Shaker Al‐Hasnaawei, Farag M. A. Altalbawy, Prakash Kanjariya +6
Мақола2D Materials and ApplicationsComputational Materials Science20250 иқтибос
ABI
Adsorption behaviors of organic nitrobenzene (C6H5NO2) and pyridine (C5H5N) molecules on the Sc, Ti and V modified MoSTe nanosheets: A comparative first principles study
Ahamad Alewedee, Shoira Formanova, Pinank Patel +7
Мақола2D Materials and ApplicationsMaterials Chemistry and Physics20250 иқтибос
ABI
Pd and Pt transition metal decorated WS2 nanosheets as efficient gas sensors for SOx molecules: A comparative DFT study
Farag M. A. Altalbawy, Fadhil Faez Sead, Suranjana V. Mayani‎ +7
Мақола2D Materials and ApplicationsMaterials Chemistry and Physics20250 иқтибос
ABI
Enhanced sensing performance of Aun cluster modified BSe nanosheets (Aun-BSe) for trapping non-cyclic and cyclic N containing molecules: A comparative DFT study
Nisar Ahmad Koka, Farag M. A. Altalbawy, Mandeep Kaur +8
Мақола2D Materials and ApplicationsInorganic Chemistry Communications20250 иқтибос
ABI
Tailoring the Adsorption and Sensing Properties of S Containing Molecules on the Novel Ag Cluster Decorated BSe Nanosheets: A Comparative DFT Study
M.A. Farag, Altalbawy, Pawan Sharma +10
Мақола2D Materials and ApplicationsJournal of Inorganic and Organometallic Polymers and Materials20250 иқтибос
ABI
Tailoring the adsorption properties of iridium and osmium cluster functionalized WSe2 nanosheets towards NO2, SO2 and SO2F2 molecules: A DFT study
Fadhil Faez, Shoira Formanova, Pinank Patel +7
Мақола2D Materials and ApplicationsComputational and Theoretical Chemistry20250 иқтибос
ABI
Elucidating the Adsorption of Cytosine (C4H5N3O) Nucleobase on the Surface of MoSe2 Nanosheets Decorated with Os Atoms: Applications to DNA Biosensors
Farag M. A. Altalbawy, Fadhil Faez, Prakash Kanjariya +6
МақолаAdvanced biosensing and bioanalysis techniquesJournal of Inorganic and Organometallic Polymers and Materials20250 иқтибос
ABI
Theoretical investigation of the adsorption behaviors of mercaptopurine drug on the Pd and Pt functionalized MoSe2 nanosheets: Applications to drug delivery systems
Munthar Kadhim Abosaoda, Farag M. A. Altalbawy, Nikunj Rachchh +7
Мақола2D Materials and ApplicationsComputational and Theoretical Chemistry20250 иқтибос
ABI
Theoretical study of the Ptn (n = 1–4) nanoparticle functionalized BC3 nanosheets and their effects on the adsorption and sensing of SOx, CO2 and NO2 molecules
Qamar Abuhassan, Ahmed Aldulaimi, Omayma Salim Waleed +8
МақолаBoron and Carbon Nanomaterials ResearchJournal of Nanoparticle Research20250 иқтибос
ABI
A Comparative DFT Study of the Adsorption of SF6 Decomposition Gas Species (SO2, SO2F2, and SOF4) on Si- and Al-Modified MoSTe Nanosheets: Application to Gas Sensors
Qamar Abuhassan, Ahmed Aldulaimi, Omayma Salim Waleed +8
Мақола2D Materials and ApplicationsJournal of Electronic Materials20260 иқтибос
ABI
A Defect-Engineered High-Entropy Alloy (Al–Cu–Fe–Ni–Ti) Unlocks Enhanced Hydrogen Evolution Performance
Yogesh Kumar Yadav, Moumita Kotal, Caique Campos de Oliveira +6
МақолаHigh Entropy Alloys StudiesACS Applied Energy Materials20260 иқтибос
ABI
Adsorption of N containing gas molecules on the noble metal (Ir, Os and Pt) modified silicene nanosheets: a theoretical study using DFT and electron density simulations
Qamar Abuhassan, Ahmed Aldulaimi, Omayma Salim Waleed +8
МақолаGraphene research and applicationsApplied Physics A20260 иқтибос
ABI
DFT-D3 investigation of the adsorption of methane and haloalkanes (CH2Cl2, CHCl3) on the Osmium and Ruthenium cluster doped BSe nanosheets: Implications for promising sensors
Qamar Abuhassan, Ghada Al-Assi, Ahmed Aldulaimi +8
Мақола2D Materials and ApplicationsApplied Physics A20260 иқтибос
ABI