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57,386 results on '"ELECTRONIC band structure"'

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1. Thermal-stimulated phase transition of vanadium dioxide enabling versatile transduction and smart applications.

2. Effect of temperature on polaronic transport in CeO2 thin-film.

3. Effect of oxygen-ion implantation on the local electronic structures of strontium-titanate single crystals: An investigation using synchrotron-based x-ray diffraction and x-ray photoemission techniques.

4. A spin-injected ferroelectric tunnel junction based on spin-dependent screening theory.

5. Analyzing k · p modeling in highly mismatched alloys and other III–V semiconductors.

6. Perspective on defect control in semiconductors for photovoltaics.

7. Semi-classical Monte Carlo study of the impact of tensile strain on the performance limits of monolayer MoS2 n-channel MOSFETs.

8. Phase transitions of carbon nanotube bundles under non-proportional triaxial compressions.

9. Photocatalytic degradation of azo dye wastewater promoted by inorganic acid post-treated carbon nitride.

10. A DFT study of physical properties of the double halide perovskite Cs2AgBiCl6 under strain effects.

11. Universal Enhancement Effect of Nonlinear Optical Response from Band Hybridization.

12. Tailoring magnesium-based hydrides as potential and reversible materials for solid-state hydrogen storage: A first-principles study.

13. Investigation on the hydrogen storage properties, electronic, elastic, and thermodynamic of Zintl Phase Hydrides XGaSiH (X = sr, ca, ba).

14. Promising two dimensional XSe2/SnS (X= Pt, Zr, Hf) vdW heterostructures for overall water splitting with higher carrier mobilities.

15. First‐Principle Investigation of zb‐TiGe: A Promising Narrow Bandgap Semiconductor.

16. An energy‐based finite‐strain model for 3D heterostructured materials and its validation by curvature analysis.

17. Harnessing the clean energy: Phosphorus-alkynyl covalent organic frameworks for photocatalytic hydrogen production.

18. Electronic, optical, phonon, and thermodynamic properties of bismuth oxyhalides for photocatalysis application using density functional theory.

19. Density functional analysis of structural, mechanical, electronic, and hydrogen storage properties of thermodynamically stable lead-free hydrides [formula omitted](X = Cs, Fr): A perspective of clean energy and fuel.

20. Enhanced HER activity in Pd/Pt-decorated Janus XSeI (X = Sb, Bi) monolayers.

21. Tutton salt (NH4)2Zn(SO4)2(H2O)6: thermostructural, spectroscopic, Hirshfeld surface, and DFT investigations.

22. Tunable Schottky barrier and interfacial electronic properties in YX2–MX2 (Y=Ta, Nb; M=Mo, W; X=S, Se, Te) heterostructures.

23. 二维金属有机框架电子性质的电场调控: 第一性原理研究.

24. Rational Design of ZnO/Sc 2 CF 2 Heterostructure with Tunable Electronic Structure for Water Splitting: A First-Principles Study.

25. Electronic, Structural, Thermodynamic, and Mechanical Stabilities, Half-Metallicity, and Thermoelectric Performances of CE-Based Half-Heusler.

26. Research Progress of Cobalt Based Phosphide Anode Materials for Sodium-Ion Batteries.

27. Unraveling the Presence and Positions of Nitrogen Defects in Defective g‐C3N4 for Improved Organic Photocatalytic Degradation: Insights from Experiments and Theoretical Calculations.

28. Polyiodides of amino acids. l-proline triiodides.

29. From single Cu atoms to sub-nanometric copper clusters deposited on TiO2: a DFT study.

31. Advanced carbon nitride‐based single‐atom photocatalysts.

32. Full Electronic Band Structure Characterization of Al-Doped ZnO Nanocrystalline Films Through Simulation.

33. Impact of Lattice Strain on the Electronic and Thermoelectric Properties of CoAs3 Skutterudite Material.

34. Unraveling Stacking Transitions in Twisted Bilayer Graphene: Insights From Intralayer and Interlayer Processes.

35. Enhanced figure of merit in two-dimensional ZrNiSn nanosheets for thermoelectric applications.

36. First-principles prediction of a novel superhard orthorhombic carbon allotrope with large bandgap.

37. Structure–property relationships in TMD materials AB2 (A = Nb, Ta; B = S, Se, Te): assessing exchange–correlation functionals.

38. Strain engineering of the structural, electronic, and optical properties of phosphorene‐like ZnS ceramic nanolayers: Density functional theory study.

39. X[formula omitted]CoH[formula omitted] (X = Ca, Sr) for hydrogen storage: First-principles computations.

40. Perovskite-structured ceramic zinc titanate nanomaterials: A comparative study of photovoltaic and synthetic approaches.

41. CaLi2PN3 – A Quaternary Chain‐Type Nitridophosphate by Medium‐Pressure Synthesis.

42. Insulating Half‐Heusler TmPdSb with Unusual Band Order and Metallic Surface States.

43. Transition metal oxides: a new frontier in spintronics driven by novel quantum states and efficient charge-spin interconversion.

44. Inorganic/organic sublattice roles in band edge photodynamics of isoelectronically substituted hybrid semiconductors.

45. Ab initio study of the structural, mechanical, optoelectronic and thermo-physical properties of XGaH5 (X=Ba, Ca, and Mg) compounds for hydrogen storage applications.

46. First-principles study of the structural, electronic, magnetic and elastic properties of YxGd1-xN alloys.

47. First principles study of optoelectronic, thermoelectric, and mechanical features of double perovskites K2AgGaZ6 (Z = Cl, Br) for energy harvesting perspectives.

48. Novel Superhard Boron Nitrides, B 2 N 3 and B 3 N 3 : Crystal Chemistry and First-Principles Studies.

49. Effect of uniaxial strain on the electronic and magnetic properties of N2SrRb: a DFT study.

50. DFT Insights into the Physical Properties of Layered LiMnSe 2 and LiMnTe 2 Compounds.

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