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1. Effect of locally excited state on fluorescence transition dipole moment in quadrupolar molecules subjected to symmetry breaking charge transfer.

2. Unlocking amplified magneto-photocurrent using multi-field manipulation in nonfullerene organic bulk heterojunction systems.

3. Endohedral metallofullerenes as nanoreactors: Regulating the ring-opening reaction of m-xylene at a molecular level under pressure.

4. Interface design for the optimal optoelectronic conversion properties of MoS2/WS2/WSe2 van der Waals heterostructures.

5. Realizing n-type carbon nanotubes via halide perovskite nanowires Cs4MX5 inner filling.

6. Electrostatic energy-driven contact electrification mechanism from the ReaxFF molecular dynamics perspective.

7. The structure of water–ammonia mixtures from classical and ab initio molecular dynamics.

8. New compound XeN14 with high energy density.

9. Binding energies of CD4 and fragment species to Pt(111): Implications for measurements of anion electron stimulated desorption.

10. PyCTRAMER: A Python package for charge transfer rate constant of condensed-phase systems from Marcus theory to Fermi's golden rule.

11. Compositional engineering of interfacial charge transfer in van der Waals heterostructures of graphene and transition metal dichalcogenides.

12. Chemiresistive effect of p-type delafossite CuScO2 microsheets to gaseous alcohols.

13. Investigating bifunctional linker-assisted photocatalytic behavior of Ag–TiO2 nanocomposites.

14. Band alignment engineering of 2D/3D halide perovskite lateral heterostructures.

15. Enhancement of visible light response of TiO2 photocatalyst by 3D-deposited Ag nanowires and its charge separation mechanism.

16. Interplay between photoinduced charge and energy transfer in manganese doped perovskite quantum dots.

17. The impact of S vacancies on the modulation of the work function and Schottky barrier at the Au/MoS2 interface.

18. Bridge effect on charge transfer and energy transfer in fullerene–chromophore dyads.

19. Intramolecular singlet fission: Quantum dynamical simulations including the effect of the laser field.

20. Symmetry breaking charge transfer and control of the transition dipole moment in excited octupolar molecules.

21. Simulation of interlayer coupling for electroactive covalent organic framework design.

22. First-principles studies on the process of electron transfer between hydrophobic liquids and water.

23. From Liouville to Landauer: Electron transport and the bath assumptions made along the way.

24. Semiclassical approaches to perturbative time-convolution and time-convolutionless quantum master equations for electronic transitions in multistate systems.

25. Nature of point defects in monolayer MoS2 and the MoS2/Au(111) heterojunction.

26. Photogenerated carrier dynamics of Mn2+ doped CsPbBr3 assembled with TiO2 systems: Effect of Mn doping content.

27. Symmetry-breaking charge separation in a null-excitonic 3-dimensional rigid nonconjugated trimer.

28. Theoretical investigation of distal charge separation in a perylenediimide trimer.

29. Photodriven electron-transfer dynamics in a series of heteroleptic Cu(I)–anthraquinone dyads.

30. First-principles prediction of one-dimensional conductive metallic organic polymers as ultrahigh energy density anode for lithium-ion batteries.

31. Ultrafast spectroscopy study of DNA photophysics after proflavine intercalation.

32. Charge transfer induced linear and nonlinear optical properties in polypyrrole/ZnO@MoS2 ternary composites.

33. Influence of Yb3+ percentage on emission of Er3+ doped into GdVO4 matrix.

34. Cavity-modified molecular dipole switching dynamics.

35. Vibrational signatures of dynamic excess proton storage between primary amine and carboxylic acid groups.

36. Fragmentation of water clusters formed in helium nanodroplets by charge transfer and Penning ionization.

37. Development and validation of a general-purpose ReaxFF reactive force field for earth material modeling.

38. Intermolecular donor–acceptor stacking to suppress triplet exciton diffusion for long-persistent organic room-temperature phosphorescence.

39. Controlling the charge-transfer dynamics of two-level systems around avoided crossings.

40. Intense charge transfer plasmons in golden nanoparticle dimers connected by conductive molecular linkers.

41. First-principles calculation of lattice distortion, electronic structure, and bonding properties of GeTe-based and PbSe-based high-entropy chalcogenides.

42. Quantum state-to-state nonadiabatic dynamics of the charge transfer reaction H+ + NO(X2Π) → H + NO+(X1Σ+): Influence of ro-vibrational excitation of NO.

43. Compact sum-of-products form of the molecular electronic Hamiltonian based on canonical polyadic decomposition.

44. Controlling the symmetry breaking charge transfer extent in excited quadrupolar molecules by tuning the locally excited state.

45. Time-resolved photoelectron spectroscopy of iodide–4-thiouracil cluster: The ππ* state as a doorway for electron attachment.

46. Low Resistance Contact to P‑Type Monolayer WSe2

47. Generalized nonequilibrium Fermi's golden rule and its semiclassical approximations for electronic transitions between multiple states.

48. The energies and charge and spin distributions in the low-lying levels of singlet and triplet N2V defects in diamond from direct variational calculations of the excited states.

49. Decoupling activation volume via dynamic electron transfer in stress-driven chemical reactions.

50. Advances toward high-accuracy operation of tunable-barrier single-hole pumps in silicon.

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