- 标题
- 摘要
- 关键词
- 实验方案
- 产品
-
Tin( <scp>ii</scp> ) thiocyanate Sn(NCS) <sub/>2</sub> – a wide band gap coordination polymer semiconductor with a 2D structure
摘要： Semiconductors based on tin(II) show promising hole-transport characteristics due to the 5s electrons that form the valence band. In this paper, we report the synthesis and comprehensive characterization of tin(II) thiocyanate [Sn(NCS)2] and identify it as a novel transparent coordination polymer semiconductor. The single crystal X-ray analysis reveals covalently-bonded 1D polymeric chains that form a 2D structure through Sn–S tetrel bonds. Density functional theory calculations also confirm the importance of the van der Waals interactions between the 2D sheets. Furthermore, we show that the s character of Sn(II) is maintained at the top of the valence band, resulting in dispersed states with a small hole effective mass. The coordination with NCS ligands also leads to a conduction band which is high in energy, giving rise to a wide band gap and excellent transparency in the visible spectrum. This is the first report on the electronic properties of Sn(NCS)2 which highlights the potential of developing new transparent semiconductors based on thiocyanate coordination polymers.
关键词： hole transport,band gap,tin(II) thiocyanate,transparent,semiconductor,coordination polymer
更新于2025-10-22 19:40:53
-
CuSCN as the Back Contact for Efficient ZMO/CdTe Solar Cells
摘要： The replacement of traditional CdS with zinc magnesium oxide (ZMO) has been demonstrated as being helpful to boost power conversion e?ciency of cadmium telluride (CdTe) solar cells to over 18%, due to the reduced interface recombination and parasitic light absorption by the bu?er layer. However, due to the atmosphere sensitivity of ZMO ?lm, the post treatments of ZMO/CdTe stacks, including CdCl2 treatment, back contact deposition, etc., which are critical for high-performance CdTe solar cells became crucial challenges. To realize the full potential of the ZMO bu?er layer, plenty of investigations need to be accomplished. Here, copper thiocyanate (CuSCN) is demonstrated to be a suitable back-contact material with multi-advantages for ZMO/CdTe solar cells. Particularly, ammonium hydroxide as the solvent for CuSCN deposition shows no detrimental impact on the ZMO layer during the post heat treatment. The post annealing temperature as well as the thickness of CuSCN ?lms are investigated. Finally, a champion power conversion e?ciency of 16.7% is achieved with an open-circuit voltage of 0.857 V, a short-circuit current density of 26.2 mA/cm2, and a ?ll factor of 74.0%.
关键词： zinc magnesium oxide,copper thiocyanate,CdTe,CuSCN
更新于2025-09-23 15:21:01
-
Effect of lead thiocyanate ions on performance of tin-based perovskite solar cells
摘要： Perovskite solar cells (PSCs) have a high efficiency, and their price is relatively low; thus, they are attracting considerable attention as a substitute for expensive Si solar cells. However, highly efficient PSCs are not eco-friendly, because they contain toxic metals such as Pb. Therefore, we develop Sn-based PSCs to reduce the Pb content. First, 11 different perovskite precursors are synthesized by increasing the amount of Pb(SCN)2 from 0 to 0.5 M in CH(NH2)2SnI3. Then, PSCs are fabricated, and their characteristics are compared. Scanning electron microscopy confirms that the proper amount of Pb(SCN)2 uniformizes the grain size of the perovskite layer and reduces the amounts of pinholes. The crystallization and optical absorption of each perovskite layer are confirmed by X-ray diffraction analysis and ultraviolet–visible spectra, and the characteristics of the PSCs are confirmed by the current density–voltage graph. The Sn-based PSCs with 0.25 M Pb(SCN)2 exhibit a high efficiency of 8.4%, which is significantly higher than that (1.6%) of Sn-based PSCs without Pb(SCN)2. The calculated Pb concentration of CH3NH3PbI3 is 0.37 g/mL, while that of CH(NH2)2SnI3 containing Pb(SCN)2 is 0.08 g/mL. These results indicate the possibility of producing highly efficient PSCs with reduced lead content.
关键词： Additive,Thiocyanate,Perovskite solar cell
更新于2025-09-23 15:21:01
-
Development of Hybrid Pseudohalide Tin Perovskites for Highly Stable Carbon-Electrode Solar Cells
摘要： Tin-based perovskites degrade rapidly upon interaction with water and oxygen in air because Sn–I bonds are weak. To address this issue, we developed novel tin perovskites, FASnI(3-x)(SCN)x (x = 0, 1, 2 or 3), employing a pseudohalide, thiocyanate (SCN?), as a replacement for halides and as an inhibitor to suppress the Sn2+/Sn4+ oxidation. The structural and electronic properties of pseudohalide tin perovskites in this series were explored with quantum-chemical calculations employing the plane-wave density-functional-theory (DFT) method; the corresponding results are consistent with the experimental results. Carbon-based perovskite devices fabricated with tin perovskite FASnI(SCN)2 showed about a three-fold enhancement of the device efficiency (2.4 %) relative to the best FASnI3-based device (0.9 %), which we attribute to improved suppression of formation of Sn4+, retarded charge recombination, enhanced hydrophobicity and stronger interactions between Sn and thiocyanate for FASnI(SCN)2 than for FASnI3. After incorporation of phenylethyleneammonium iodide (PEAI, 10 %) and ethylenediammonium diiodide (EDAI2, 5 %) as co-additives, the FASnI(SCN)2 device gave the best photovoltaic performance with JSC/mA cm–2 = 20.17, VOC/mV = 322, FF = 0.574 and overall efficiency of power conversion PCE = 3.7 %. Moreover, these pseudohalide-containing devices display negligible photocurrent–voltage hysteresis and great stability in ambient air conditions.
关键词： tin perovskite,Perovskite,thiocyanate,pseudohalide,solar cells
更新于2025-09-23 15:19:57
-
Numerical modeling of lead-free perovskite solar cell using inorganic charge transport materials
摘要： Ten years after their first mention in report on solar cell implementation, organic-inorganic hybrid perovskites are still the focal point of photovoltaic research. Proper selection of material for different layers has enabled high power conversion efficiency (PCE) values that presently surpass 24%. Unfortunately, the metal halide perovskite solar cells (PSC) contain toxic lead, which is a serious concern for their commercialization process. To tackle lead toxicity issues in perovskite-based solar cells, intensive research by PSC research fraternity is ongoing to develop lead-free metal halide perovskite. In this paper, a novel solar cell configuration which consists of FTO/Transition Metal Di-Chalcogenides/Perovskite/Copper thiocyanate/Au is proposed. In this Transition Metal Di-Chalcogenides (Tungsten Disulfide) is used as an electron transport metal (ETM) due to its high electron mobility and Copper thiocyanate (CuSCN) is used as a hole transport metal (HTM) due to its high transparency and ideal band alignment with perovskite. Impact of variation in thickness of perovskite layer, electron transport layer and hole transport layer on performance parameters were examined. A PCE of 19.84% is achieved at the optimal perovskite layer thickness of 700 nm. When the thickness surpasses 700 nm, PCE drops due to an increase in the recombination of electron-hole pairs. Impact of interfacial defects on the performance parameter was also scrutinized. Simulation results reveal that the interfacial defect of ETM/Perovskite has a larger impact on performance parameters than that of Perovskite/HTM defect when light is irradiated from the ETM side. We also investigated the effect of temperature variation on device performance. The PSC showed optimum performance in the range of 20 °C to 50 °C and the ideal working temperature was viewed as 30 °C.
关键词： Transition metal di-chalcogenides,Power conversion efficiency,Stability,Lead-free perovskite,Copper thiocyanate
更新于2025-09-19 17:13:59
-
SERS detection of sodium thiocyanate and benzoic acid preservatives in liquid milk using cysteamine functionalized core-shelled nanoparticles
摘要： A cysteamine functionalized core shelled nanoparticles (Au@Ag-CysNPs) was presented for simultaneous and rapid detection of sodium thiocyanate (STC) and benzoic acid (BA) preservatives in liquid milk using surface-enhanced Raman spectroscopy (SERS) technique. A spectrum covering 350-2350 cm-1 region was selected to detect STC with concentrations ranging from 0.5 to 10 mg/L and BA with concentrations ranging from 15 to 240 mg/L in milk samples. Characterization of nanoparticles using high-resolution TEM confirmed that the successful synthesis of Au@AgNPs with core (gold) size of 28 nm and shell (silver) thickness of about 5 nm was grafted with 120 μL of 0.1 nM cysteamine hydrochloride. Results showed that Au@Ag-CysNPs could be used to detect STC up to 0.03 mg/L with a limit of quantification (LOQ) of 0.039 mg/L and a coefficient of determination (R2) of 0.9833 in the milk sample. For detecting BA, it could be screened up to 9.8 mg/L with LOQ of 10.2 mg/L and R2 of 0.9903. The proposed substrate was also highly sensitive and the employed method involved only minor sample pretreatment steps. It is thus hoped that the new substrate could be used in the screening of prohibited chemicals in complex food matrices in future studies.
关键词： SERS,milk adulteration,sodium thiocyanate,nanoparticles,benzoic acid
更新于2025-09-16 10:30:52
-
Use of the Phen‐NaDPO:Sn(SCN) <sub/>2</sub> Blend as Electron Transport Layer Results to Consistent Efficiency Improvements in Organic and Hybrid Perovskite Solar Cells
摘要： A simple approach that enables a consistent enhancement of the electron extracting properties of the widely used small-molecule Phen-NaDPO and its application in organic solar cells (OSCs) is reported. It is shown that addition of minute amounts of the inorganic molecule Sn(SCN)2 into Phen-NaDPO improves both the electron transport and its film-forming properties. Use of Phen-NaDPO:Sn(SCN)2 blend as the electron transport layer (ETL) in binary PM6:IT-4F OSCs leads to a remarkable increase in the cells’ power conversion efficiency (PCE) from 12.6% (Phen-NaDPO) to 13.5% (Phen-NaDPO:Sn(SCN)2). Combining the hybrid ETL with the best-in-class organic ternary PM6:Y6:PC70BM systems results to a similarly remarkable PCE increase from 14.2% (Phen-NaDPO) to 15.6% (Phen-NaDPO:Sn(SCN)2). The consistent PCE enhancement is attributed to reduced trap-assisted carrier recombination at the bulk-heterojunction/ETL interface due to the presence of new energy states formed upon chemical interaction of Phen-NaDPO with Sn(SCN)2. The versatility of this hybrid ETL is further demonstrated with its application in perovskite solar cells for which an increase in the PCE from 16.6% to 18.2% is also demonstrated.
关键词： electron transporting layers,organic photovoltaics,Phen-NaDPO,nonfullerene acceptors,tin (II) thiocyanate
更新于2025-09-11 14:15:04
-
Organic light-emitting diodes with an electro-deposited copper(I) thiocyanate (CuSCN) hole-injection layer based on aqueous electrolyte
摘要： Copper(I) thiocyanate (CuSCN) has been drawing much attention in optoelectronics due to its exceptional optical and electrical properties, as well as its processing versatility. The first organic light-emitting diodes (OLEDs) integrated with electro-deposited CuSCN crystalline thin films based on aqueous electrolyte were fabricated. With precisely tuned deposition parameters, the CuSCN thin films with satisfactory surface roughness and sufficient grain density were realized. We found that the driving voltage (voltage at a current density of 100 mA/cm2) and turn-on voltage of OLEDs using CuSCN as the hole injection layer (HIL) can be reduced by 1.41 and 1.79 V, respectively, compared with devices using vacuum-deposited hole injecting transition metal oxide molybdenum trioxide (MoO3). Moreover, the fabricated OLEDs also demonstrated considerably mitigated efficiency roll-off. Optical and energetic analyses were conducted to investigate the characteristics and enhancement mechanisms. Efficient hole-injection, electron blocking, improved charge balance, enhanced optical properties and good compatibility of electro-deposited CuSCN with thermally evaporated organic systems were found to be the primary contributors for the performance improvements of the OLEDs.
关键词： Electro-deposition,CuSCN,Hole injection,Organic-inorganic hybrid system,Organic light-emitting diodes,Copper(I) thiocyanate
更新于2025-09-11 14:15:04
-
Photoexcitation Dynamics of Thiocyanate-Bound Heme Proteins Using Femtosecond Infrared Spectroscopy
摘要： Myoglobin (Mb) and hemoglobin (Hb) have been used as model systems to understand the relationships between protein function, structure, and dynamics. These studies have primarily been carried out by observing the (re)binding between ferrous heme proteins and neutral ligands. Ferric heme proteins also bind to various anionic ligands, such as CN?, N3?, OCN?, and SCN?. Only a few anion-bound ferric heme proteins have been investigated for ligand-binding dynamics.1–4 Although CN?-bound Mb (MbCN) was reported to be photostable, i.e., not photodeligated by a visible photon, recent study using Raman spectroscopy claimed a photodeligation quantum yield for MbCN of 0.75.5 Thus, the photostability of ?-bound MbCN is still in question. At room temperature, N3?-bound Mb (MbN3) exists in both high spin (HS) and low spin (LS) complexes. When MbN3 absorbs a visible photon, the ligand is not dissociated; instead the excited MbN3 undergoes a thermal relaxation process involving a spin transition.3 Recently, we have shown that photoexcited OCN?-bound Mb and OCN?-bound Hb are also photostable, losing their excess energy via thermal relaxation after rapid electronic relaxation.4 Here, to determine the general excitation properties of anion-bound heme proteins after absorption of a visible photon, we have extended our study of photoexcitation dynamics to SCN?-bound ferric Mb (MbNCS) and Hb (HbNCS).
关键词： Femtosecond vibrational spectroscopy,Thiocyanate-bound myoglobin,Electronic relaxation,Ferric heme proteins,Thermal relaxation
更新于2025-09-10 09:29:36
-
2-D Silver-thiocyanate Layers Directed by Viologens: Structural Transformations upon Low Pressure Stimuli, Piezochromic Luminescence, Photocurrent Responses and Photocatalytic Properties
摘要： The reactions of AgSCN with excess KSCN in presence of linear viologens templates afford seven new hybrids, {(MV)[Ag4(SCN)6]}n (1), {(MV)[Ag2(SCN)4]}n (2), {(EV)[Ag4(SCN)6]}n (3), {(EV)[Ag2(SCN)4]}n (4), {(BV)[Ag4(SCN)6]}n (5), {(CMV)[Ag2(SCN)4]}n (6) and {(BMPE)[Ag2(SCN)4]}n (7), (MV2+=methyl viologen, EV2+=ethyl viologen, BV2+=benzyl viologen, CMV2+=cyanomethyl viologen, BMPE2+=1,2-bis(N-methylpyridiniim-4-yl)ethane). The silver-thiocyanate skeletons with formula of [Ag4(SCN)6]n 2n- and [Ag2(SCN)4]n 2n- are the scarce representative examples of the 2-D polypseudorotaxane arrays penetrated (for 1-6) or intercalated (for 7) by viologen dications. Upon the external low pressure stimulus, the 2-D silver-thiocyanate layers penetrated by cations exhibit loser packing with longer Ag-S(N) bond lengths, weaker CT interactions and larger cavities, but the contrary trend can be found on compound with intercalated organic cations. Due to the strong CT interactions between viologens and silver-thiocyanate skeletons, the charge transfers can occur at room temperature. Interestingly, 7 represents typical reversible piezochromic luminescence behaviour. In addition, they show excellent photocurrent responses and efficient photocatalytic degeneration performances on organic dyes. Finally, their band structures and density of states before and after compression based on DFT calculations were executed to correlate their properties.
关键词： Piezochromic Luminescence,Viologens,Silver-thiocyanate,Photocurrent Responses,Photocatalytic Properties,Structural Transformations
更新于2025-09-10 09:29:36