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Ether-soluble Cu53 Nanoclusters as an Effective Precursor of High-quality CuI Films for Optoelectronic Applications
摘要： An effective strategy is developed to synthesize high-nuclearity Cu clusters, [Cu53(RCOO)10(C≡CtBu)20Cl2H18]+ (Cu53), which is the largest Cu(I)/Cu(0) cluster reported to date. Cu powder and Ph2SiH2 are employed as the reducing agents in the synthesis. As revealed by single-crystal diffraction, Cu53 is arranged as a four-concentric-shell Cu3@Cu10Cl2@Cu20@Cu20 structure, possessing an atomic arrangement of concentric M12 icosahedral and M20 dodecahedral shells which popularly occurs in Au/Ag nanoclusters. Surprisingly, Cu53 can be dissolved in diethyl ether and spin coated to form uniform nanoclusters film on organo-lead halide perovskite. The cluster film can subsequently be converted into high-quality CuI film via in-situ iodination at room temperature. The as-fabricated CuI film proves to be an excellent hole-transport layer for fabricating highly stable CuI-based perovskite solar cells (PSCs) with 14.3% of efficiency.
关键词： CuI film,Cu nanocluster,Alkynyl,Perovskite solar cells,Superatoms
更新于2025-09-23 15:21:21
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Quantum Dots - Theory and Applications || Theory of Excitons and Excitonic Quasimolecules Formed from Spatially Separated Electrons and Holes in Quasi-Zero- Dimensional Nanostructures
摘要： The theory of an exciton formed from a spatially separated electron and a hole is developed within the framework of the modified effective mass method. The effect of significantly increasing the exciton binding energy in quantum dots of zinc selenide, synthesized in a borosilicate glass matrix and relative to that in a zinc selenide single crystal is revealed. It is shown that the short-wavelength shift of the peak of the low-temperature luminescence spectrum of samples containing zinc selenide quantum dots, observed under experimental conditions, is caused by quantum confinement of the ground-state energy of the exciton with a spatially separated electron and hole. A review devoted to the theory of excitonic quasimolecules (biexcitons) (made up of spatially separated electrons and holes) in a nanosystem that consists of ZnSe quantum dots synthesized in a borosilicate glass matrix is developed within the context of the modified effective mass approximation. It is shown that biexciton (exciton quasimolecule) formation has a threshold character and is possible in a nanosystem, where the spacing between quantum dots' surfaces is larger than a certain critical arrangement. An analogy of the spectroscopy of the electronic states of superatoms (or artificial atoms) and individual alkali metal atoms theoretically predicted a new artificial atom that was similar to the new alkali metal atom.
关键词： excitonic quasimolecules,Excitons,superatoms,spatially separated electrons and holes,exciton binding energy,quantum dots
更新于2025-09-23 15:19:57
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Symmetry lowering by cage doping in spherical superatoms: Evaluation of electronic and optical properties of 18-electron W@Au <sub/>12</sub> Pt <sub/><i>n</i> </sub> ( <i>n</i> ?=?0-4) superatomic clusters from relativistic DFT calculations
摘要： Attempts to expand the versatility of well defined clusters are a relevant issue in the design of building blocks for functional nanostructures. Here, we investigate the plausible formation of related structures from the emblematic highly symmetrical 18-e [W@Au12] cluster. The calculated [W@Au12Ptn] series, with n = 0, 1, 2, 3, and 4, show cohesion energies, HOMO-LUMO gap, adiabatic electron affinities (AEAs) and adiabatic ionization potentials (AIPs), indicating a relative stability to the parent cluster [W@Au12] experimentally characterized, where clusters with n = 1 and n = 4 are suggested as the most stable with respect to oxidation. The resulting symmetry lowering away from the high icosahedral symmetry upon adding Pt atoms induces a sizable splitting of the frontiers shells, which in turn effectively modify the properties of the calculated clusters, as observed from calculated optical properties. The estimated absorption spectra show an interesting broadening effect of the absorption peaks, which appears as a useful approach for further design of broad black absorbers, which are able to absorb light in a wider range, with potential capabilities to enhance the efficiency of thin film solar cells and photocatalysis processes, among other applications.
关键词： gold,superatoms,endohedral,platinum,heteroatomic
更新于2025-09-09 09:28:46
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Ether-soluble Cu53 Nanoclusters as an Effective Precursor of High-quality CuI Films for Optoelectronic Applications
摘要： An effective strategy is developed to synthesize high-nuclearity Cu clusters, [Cu53(RCOO)10(C≡CtBu)20Cl2H18]+ (Cu53), which is the largest Cu(I)/Cu(0) cluster reported to date. Cu powder and Ph2SiH2 are employed as the reducing agents in the synthesis. As revealed by single-crystal diffraction, Cu53 is arranged as a four-concentric-shell Cu3@Cu10Cl2@Cu20@Cu20 structure, possessing an atomic arrangement of concentric M12 icosahedral and M20 dodecahedral shells which popularly occurs in Au/Ag nanoclusters. Surprisingly, Cu53 can be dissolved in diethyl ether and spin coated to form uniform nanoclusters film on organo-lead halide perovskite. The cluster film can subsequently be converted into high-quality CuI film via in-situ iodination at room temperature. The as-fabricated CuI film proves to be an excellent hole-transport layer for fabricating highly stable CuI-based perovskite solar cells (PSCs) with 14.3% of efficiency.
关键词： CuI film,Cu nanocluster,Alkynyl,Perovskite solar cells,Superatoms
更新于2025-09-09 09:28:46