32 results on '"Majumder, Chiranjib"'
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2. Structure and stability of Au, Au2 and Au8 cluster on Ni(111) supported h-BN sheet: Role of size and support towards oxygen bond activation
3. Adsorption behavior of diatomic gases with defected hexagonal boron nitride nanosheet: A DFT study
4. First-principles calculations to investigate electronic structure and transport properties of CrC monolayers: A new horizon for spintronic application
5. Stabilizing Co, Ni and Cu on the h-BN surface: Using O O bond activation to probe their performance as single atom catalyst
6. Atomically precise noble metal clusters (Ag10, Au10, Pd10 and Pt10) on alumina support: A comprehensive DFT study for oxidative catalysis
7. Revisiting galvanic replacement between silver nanoparticles and mercury(II) ions in a cellulose membrane intended for optical assay application: Some new insights into silver-mercury interaction
8. Stability and electronic properties of Au atom doped hexagonal boron nitride sheet on Ni(111) support: Role of vacancy defects and supports towards single atom catalysis
9. Charge reordering of MgO (1 0 0) surface by Sn cluster deposition: Implications for heterogeneous catalysis
10. Interaction of gold clusters with graphene and graphene layer over Ni(111) surface: A density functional study
11. Activation of hydrogen iodide on silver tetramers: Role of confinement
12. Role of size, composition and substrate in controlling the reactivity of α(0001)-Al 2 O 3 supported Ag n Au m ( n+m = 2 − 4) alloy clusters for CO-oxidation: A comprehensive density functional study
13. Substrate induced reconstruction and activation of platinum clusters: A systematic DFT study
14. Adsorption and decomposition of dimethyl methylphosphonate on pristine and mono-vacancy defected graphene: A first principles study
15. The nonchalant magnetic ordering of vacancies in graphene
16. Is mixed oxide of Sn x Ti 1−x O 2 more effective for H 2 O decomposition? A first principles study
17. Comparison between cluster and slab model for Pt-group atom adsorption on gold and silver substrate
18. Chair like NiAu6: Clusters assemblies and CO oxidation study by ab initio methods
19. Room temperature ammonia sensor based on jaw like bis-porphyrin molecules
20. Influence of Sn interaction on the structural evolution of Au clusters: A first principles study
21. Structural and electronic properties of Ag–Pd bimetallic clusters on Al2O3 substrates: A first principles study
22. Hydrogen storage on Ti decorated SiC nanostructures: A first principles study
23. A first principle study of SO3 decomposition on silver nano-clusters: Implications toward hydrogen production
24. Oxidation of tin clusters: A first principles study
25. Size-dependent electronic structure of rutile TiO2 quantum dots
26. Microsolvation of sodium ion in acetonitrile clusters: Structure and energetic trend by first principle study
27. Growth pattern and bonding trends in Pt (n= 2–13) clusters: Theoretical investigation based on first principle calculations
28. Energy level reordering and stability of MPb12 clusters: An interplay between geometry and electronic structure
29. Structure and bonding of tetramer clusters: Theoretical understanding of the aromaticity
30. Effect of substituent groups on the electronic properties of a molecular device: an ab initio theoretical study
31. Theoretical study of the alkyl derivative C 37 H 50 N 4 O 4 molecule for use as a stable molecular rectifier: geometric and electronic structures
32. Ionization potentials of small tin clusters: first principles calculations
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