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Highly Efficient Inorganic-Organic Heterojunction Solar Cells Based on Polymer and CdX (X=Se, Te) Quantum Dots: An Insight from a Theoretical Study
摘要： By using the density functional method, we explore the potentiality of recently synthesized CdX (X=Se, Te)QD/P3HT composites in solar energy conversion devices. Our study reveals that inorganic/organic hybrid CdXQD/P3HT nanocomposites with larger size of CdX QDs exhibit type-II band alignment, suggesting efficient charge separation upon photoexcitation. But for smaller size of QDs, the composites show type-I band alignment which are devoid of charge separation and thus are not suitable for solar cell applications. To remove this obstacle, we focus on chemical modification to polymer P3HT. The substitution of hydrogen at the beta position of each thiophene ring of polymer by electron withdrawing group (CN) results type-II band alignment and yield spatial charge separation even for smaller size of QDs. Finally, we calculated the powerconversion efficiency (PCE) of CdXQD and CN functionalized P3HT nanocomposites. The maximum calculated PCE value of 10.82% is achieved, which makes them immensely competitive with other reported heterojunction solar cells.
关键词： CdX (X=Se, Te)QD/P3HT composites,powerconversion efficiency,solar energy conversion,charge separation,type-II band alignment
更新于2025-09-23 15:21:01
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Polarization-Sensitive Self-Powered Type-II GeSe/MoS2 Van der Waals Heterojunction Photodetector
摘要： Polarization-sensitive photodetectors are highly desirable for high performance optical signal capture and stray light shielding in order to enhance the capability for detection and identification of targets in the dark, haze and other complex environments. Usually, filters and polarizers are utilized for conventional devices to achieve polarization-sensitive detection. Herein, to simplify the optical system, a 2-D self-powered polarization-sensitive photodetector is fabricated based on a stacked GeSe/MoS2 van der Waals (vdWs) heterojunction which facilitates efficient separation and transportation of the photogenerated carriers, due to type-II band alignment. Accordingly, a high performance self-powered photodetector is achieved with merits of a very large on-off ratio photocurrent at zero bias of currently 104 and a high responsivity (Rλ) of 105 mA/W with the external quantum efficiency (EQE) of 24.2%. Furthermore, a broad spectral photoresponse is extended from 380 nm to 1064 nm owing to the high absorption coefficient in a wide spectral region. One of the key benefits from these highly anisotropic orthorhombic structures of layered GeSe is self-powered polarization sensitive detection with a peak/valley ratio up to 2.95. This is realized irradiating with a 532 nm wavelength laser with which a maximum photoresponsivity of up to 590 mA/W is reached when the input polarization is parallel to the armchair direction. This work provides a facile route to fabricate self-powered polarization-sensitive photodetectors from GeSe/MoS2 vdW heterojunctions for integrated optoelectronic devices.
关键词： polarization sensitive photodetector,self-powered,type-II band alignment,GeSe/MoS2 heterojunction,broad spectral photoresponse
更新于2025-09-23 15:19:57
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Diluted nitride type-II superlattices: Overcoming the difficulties of bulk GaAsSbN in solar cells
摘要： We demonstrate type-II GaAsSb/GaAsN superlattices (SL) as a suitable structure to form the lattice-matched 1.0–1.15 eV subcell that would allow the implementation of the optimum monolithic multi-junction solar cell design. The separation of Sb and N atoms during growth leads to an improved composition homogeneity and a lower defect density than in the bulk GaAsSbN counterparts. The type-II band alignment SLs provide long radiative lifetimes that facilitate carrier collection as compared to equivalent type-I SLs. Moreover, the radiative lifetime can be controllably tuned through the period thickness, which is not possible in type-I SLs. A reduced period thickness results in enhanced absorption due to increased wavefunction overlap, as well as in a change in the transport regime from diffusive to quasiballistic, providing improved carrier extraction efficiency. As a result, the short period SL single-junction solar cells show an enhanced power conversion efficiency of 134% over the equivalent bulk devices.
关键词： Strain-balanced,GaAsSbN,Type-II band Alignment,Multi-junction solar cells,Superlattices,1 eV bandgap
更新于2025-09-23 15:19:57
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A Comparative Study on the Photovoltaic Properties of ZnX (X=S, Se, Te) QD/CNT Inorganic/Organic Hybrid Nanocomposites
摘要： Designing the efficient inorganic/organic hybrid light harvesting systems through understanding of charge generation, separation and recombination dynamics is an important pathway for improvement of power conversion efficiency (PCE) of photovoltaic cell. Using density functional method, we explored the photovoltaic performance of recently synthesized ZnX (X=S, Se, Te) QD/carbon nanotube (CNT) nanocomposites. Interestingly, ZnX QD/CNT nanocomposites exhibit type-II band alignment, where hole and electron charge carriers are localized on ZnX QD and CNT, respectively. However, the energy difference between highest occupied molecular orbital of ZnXQD and conduction band minimum of CNT is very small (0.09-0.26 eV), implying huge possibilities of electron-hole recombination at ZnX:CNT interface. To overcome such unpleasant situation, we focus on chemical modification of CNT. The CNT is hydrogenated by attachment of atomic hydrogen and next the hydrogenated CNT is functionalized by electron withdrawing group (-CN) in part. We found that ZnX QD and CN functionalized hydrogenated CNT nanocomposites exhibit intended type-II band alignment and achieve high PCEs in the range of 6.73-8.38%, making them exceptionally competitive with other previously reported hybrid solar cells.
关键词： inorganic/organic hybrid nanocomposites,power conversion efficiency,ZnX QD/CNT,type-II band alignment,photovoltaic properties
更新于2025-09-23 15:19:57
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Type-II/type-II band alignment to boost spatial charge separation: A case study of g-C3N4 quantum dot/a-TiO2/r-TiO2 for highly efficient photocatalytic hydrogen and oxygen evolution
摘要： Efficient spatial charge separation and transfer that are critical factors for solar energy conversion primarily depend on the energetic alignment of the band edges at interfaces in heterojunctions. Herein, we first report that constructing 0D/0D type-II(T-II)/T-II heterojunction is an effective strategy to ingeniously achieve long-range charge separation by taking a ternary heterojunction of TiO2 and graphitic carbon nitride (g-C3N4) as a proof-of-concept. Incorporating g-C3N4 quantum dots (QCN), as the third component, into the commercial P25 composed of anatase (a-TiO2) and rutile (r-TiO2) can be realized via simply mixing the commercially Degussa P25 and QCN solution followed by heat treatment. The strong coupling and matching band structures among a-TiO2, r-TiO2 and QCN result in the construction of novel T-II/T-II heterojunctions, which would promote the spatial separation and transfer of photogenerated electrons and holes. Moreover, QCN plays a key role in reinforcing light absorption. Specially, the unique 0D/0D architecture possesses the advantages of abundant active sites for photocatalytic reaction. As a result, the optimized QCN/a-TiO2/r-TiO2 heterojunctions exhibit enhanced photocatalytic H2 and O2 evolution, especially the hydrogen evolution rate (49.3 μmol h?1) is 11.7 times that of bare P25 under visible light irradiation, and sufficiently catalytic stability as evidenced by the recycling experiments. The remarkable enhanced photocatalytic activity can be attributed to the synergistic effects of the energy level alignment at interfaces, the dimensionality and component of the heterojunctions. This work provides a stepping stone towards the design of novel heterojunctions for photocatalytic water splitting.
关键词： type-II/type-II band alignment,0D/0D heterojunction,photocatalytic water splitting,g-C3N4 quantum dots,TiO2
更新于2025-09-19 17:13:59
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Broad tunability of emission wavelength by strain coupled InAs/GaAs <sub/>1???x</sub> Sb <sub/>x</sub> quantum dot heterostructures
摘要： Tuning of the photoluminescence emission over a wider range of optical telecommunication wavelength (1.38 μm–1.68 μm) has been achieved by employing a GaAs1 ? xSbx capping layer to the strain coupled bilayer InAs quantum dot (QD) heterostructures. It is shown that the modulation of strain between the two dot layers through variation in Sb-content and thickness of the capping layer strongly influence the dot size. The band alignment transformation from type-I to type-II is observed for high Sb-content in the capping layers. In addition, the carrier lifetime is improved by a factor of three in the QD heterostructures having type-II band alignment. This, we believe, is of importance for optoelectronic device applications.
关键词： GaAs1 ? xSbx capping layer,carrier lifetime,optoelectronic device applications,photoluminescence emission,strain coupled bilayer InAs quantum dot,type-I to type-II band alignment,optical telecommunication wavelength
更新于2025-09-12 10:27:22
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Design and Comparative Studies of Z-Scheme and Type II Based Heterostructures of NaNbO <sub/>3</sub> /CuInS <sub/>2</sub> /In <sub/>2</sub> S <sub/>3</sub> for Efficient Photoelectrochemical Applications
摘要： Here, we report the fabrication of a new Z-scheme based core/shell/shell heterostructure of NaNbO3/CuInS2/In2S3 (core/shell/shell) for photoelectrochemical (PEC) water splitting and also for degradation of organic pollutants. We have also performed a comparative study with a modified heterostructure of NaNbO3/In2S3/CuInS2 having Type II band alignment. The PEC measurements under visible light irradiation show increased photocatalytic performance for the NaNbO3/CuInS2/In2S3 heterostructures as revealed by a high current density of ～6.72 mA/cm2 at ?1.0 V versus Ag/AgCl and low photocurrent onset potential of ～?110 mV in comparison to the Type II system (～1.63 mA/cm2 and ?180 mV vs Ag/AgCl). Mott?Schottky plots confirmed the n?p?n type heterojunction formation in the NaNbO3/CuInS2/In2S3 heterostructure which reduces the charge carrier recombination (revealed by PL intensity and short lifetime). The Z-scheme based system also exhibits excellent degradation efficiency (～99.6%) of organic pollutants. This work shows that the Z-scheme charge separation mechanism in NaNbO3/CuInS2/In2S3 nanostructures is more efficient than the Type II based on NaNbO3/In2S3/CuInS2.
关键词： core/shell/shell heterostructure,photoelectrochemical water splitting,Type II band alignment,organic pollutants degradation,Z-scheme,NaNbO3/CuInS2/In2S3
更新于2025-09-09 09:28:46