Selenium Atoms Research Articles

In-situ construction of binder-free MnO2/MnSe heterostructure membrane for high-performance energy storage in pseudocapacitors

Manganese (Mn)-based oxides are considered suitable positive electrode materials for supercapacitors (SCs). However, their cycle stability and specific capacitance are significantly hindered by key restrictions such as structural instability and low conductivity. Herein, we demonstrated a novel nanorod (NR)-shaped heterostructured manganese dioxide/manganese selenide membrane (MnO2/MnSe) on carbon cloth (CC) (denoted as MnO2/MnSe-NR@CC) with a high aspect ratio by a straightforward and facile hydrothermal process. Experiments have demonstrated that doping selenium atoms to oxygen sites reduce electronegativity, increasing the intrinsic electronic conductivity of MnO2, decreasing electrostatic interactions with electrolyte ions, and thus boosting the reaction kinetics. Further, the selenium doping results in an amorphous surface with extensive oxygen defects, which contributed to the emergence of additional charge storage sites with pseudocapacitive characteristics. As expected, novel heterostructured MnO2/MnSe-NR@CC as an electrode for SC exhibits a high capacitance of 740.63 F/g at a current density of 1.5 A/g, with excellent cycling performance (93% capacitance retention after 5000 cycles). The MnO2/MnSe-NR@CC exhibited outstanding charge storage capability, dominating capacitive charge storage (84.6% capacitive at 6 mV/s). To examine the practical applications of MnO2/MnSe-NR@CC-ASC as a positive electrode, MnO2/MnSe-NR@CC//AC device was fabricated. The MnO2/MnSe-NR@CC//AC-ASC device performed exceptionally well, with a maximum capacitance of 166.66 F/g at 2 A/g, with a capacitance retention of 94%, after 500 GCD cycles. Additionally, it delivers an energy density of 75.06 Wh/kg at a power density of 1805.1 W/kg and maintains 55.044 Wh/kg at a maximum power density of 18,159 W/kg. This research sheds fresh information on the anionic doping method and has the potential to be applied to the synthesis of positive electrode materials for energy storage applications.

Hybrid chalcogen bonds in prodrug nanoassemblies provides dual redox-responsivity in the tumor microenvironment

Sulfur bonds, especially trisulfide bond, have been found to ameliorate the self-assembly stability of homodimeric prodrug nanoassemblies and could trigger the sensitive reduction-responsive release of active drugs. However, the antitumor efficacy of homodimeric prodrug nanoassemblies with single reduction-responsivity may be restricted due to the heterogeneous tumor redox microenvironment. Herein, we replace the middle sulfur atom of trisulfide bond with an oxidizing tellurium atom or selenium atom to construct redox dual-responsive sulfur-tellurium-sulfur and sulfur-selenium-sulfur hybrid chalcogen bonds. The hybrid chalcogen bonds, especially the sulfur-tellurium-sulfur bond, exhibit ultrahigh dual-responsivity to both oxidation and reduction conditions, which could effectively address the heterogeneous tumor microenvironment. Moreover, the hybrid sulfur-tellurium-sulfur bond promotes the self-assembly of homodimeric prodrugs by providing strong intermolecular forces and sufficient steric hindrance. The above advantages of sulfur-tellurium-sulfur bridged homodimeric prodrug nanoassemblies result in the improved antitumor efficacy of docetaxel with satisfactory safety. The exploration of hybrid chalcogen bonds in drug delivery deepened insight into the development of prodrug-based chemotherapy to address tumor redox heterogeneity, thus enriching the design theory of prodrug-based nanomedicines.

Synthesis and properties of fully-modified 4′-selenoRNA, an endonuclease-resistant RNA analog

A large number of chemically modified oligonucleotides (ONs) have been developed for RNA-based technologies. In most modified RNAs, the characteristic 2′-hydroxyl (2′-OH) groups are removed to enhance both nuclease resistance and hybridization ability. However, the importance of the 2′-OH group in RNA structure and function is well known. Here, we report the synthesis and properties of 4′-selenoRNA in which all four nucleoside units retain the 2′-OH groups but contain a selenium atom instead of an oxygen atom at the 4′-position of the furanose ring. 4′-SelenoRNA has enhanced ability to form duplexes with RNA, and high endonuclease resistance despite the presence of the 2′-OH groups. X-ray crystallography analysis showed that the 4′-selenoRNA duplex adopts an A-conformation, similar to natural RNA, although one 4′-selenocytidine residue has unusual South-type sugar puckering. Furthermore, preliminary studies using 4′-seleno-modified siRNAs suggest that 4′-selenoRNA may be applicable to RNA interference technology. Collectively, our results raise the possibility of a new class of modified RNA in which 2′-OH groups do not need to be masked.

Atomic Optimization on Pyran‐Fused Nonfullerene Acceptor Enables Organic Solar Cells With an Efficiency Approaching 16% and Reduced Energy Loss

AbstractAtomic replacement on platforms of nonfullerene acceptor (NFA) with already excellent performance is expected to further optimize the energy levels, absorptions, and even charge transfer dynamics of NFAs effectively without greatly destroying their superior molecular conformations. On the basis of high‐performance F‐series NFAs, the structural optimization at atomic level is performed by replacing sulfur atoms in FO‐2Cl with selenium atoms, thus affording a new NFA labeled as FOSe‐2Cl. FOSe‐2Cl not only inherits the good planar configuration of FO‐2Cl, but also exhibits more suitable energy levels, redshifted absorption, enhanced molecular packing, and accelerative charge transfer/transport dynamics compared with those of FO‐2Cl. With a widely used polymer PM6 as the donor, organic solar cell (OSC) based on FOSe‐2Cl affords a significantly improved power conversion efficiency (PCE) of 15.94% with a reduced energy loss (Eloss) of 0.670 eV, with respect to that of FO‐2Cl‐based OSC with a PCE of 14.94% and Eloss of 0.706 eV. The result represents the best performance reported to date for pyran‐fused NFAs and F‐series NFAs‐based binary OSCs, providing another promising platform to achieve the state‐of‐the‐art OSCs in addition to the well‐known Y‐series NFAs.

Small-Molecule Acceptor with Unsymmetric Substituents and Fused Rings for High-Performance Organic Solar Cells with Enhanced Mobility and Reduced Energy Losses.

A new unsymmetric small-molecule acceptor (SMA) BTPOSe-4F was designed by unsymmetric structure modification to Y6 with an alkyl upper side chain replaced by an alkoxy side chain and a sulfur atom in its central fused ring replaced by a selenium atom, for the application as an acceptor to fabricate organic solar cells (OSCs). BTPOSe-4F exhibits a higher lowest unoccupied molecular orbital (LUMO) energy level, a reduced nonradiation energy loss, and better charge extraction properties in its binary OSCs with a higher Voc of 0.886. Furthermore, the ternary OSCs with the addition of PC71BM demonstrated a higher power conversion efficiency (PCE) of 17.33% with Voc of 0.890 V. This work reveals that the unsymmetric modification strategy can further give impetus to the photovoltaic performance promotion of OSCs for Y6-series SMAs.

Recent Advances in Selenophene-Based Materials for Organic Solar Cells.

Due to the low cost, light weight, semitransparency, good flexibility, and large manufacturing area of organic solar cells (OSCs), OSCs have the opportunity to become the next generation of solar cells in some specific applications. So far, the efficiency of the OSC device has been improved by more than 20%. The optical band gap between the lowest unoccupied molecular orbital (LUMO) level and the highest occupied molecular orbital (HOMO) level is an important factor affecting the performance of the device. Selenophene, a derivative of aromatic pentacyclic thiophene, is easy to polarize, its LUMO energy level is very low, and hence the optical band gap can be reduced. In addition, the selenium atoms in selenophene and other oxygen atoms or sulfur atoms can form an intermolecular interaction, so as to improve the stacking order of the active layer blend film and improve the carrier transport efficiency. This paper introduces the organic solar active layer materials containing selenium benzene in recent years, which can be simply divided into donor materials and acceptor materials. Replacing sulfur atoms with selenium atoms in these materials can effectively reduce the corresponding optical band gap of materials, improve the mutual solubility of donor recipient materials, and ultimately improve the device efficiency. Therefore, the sulfur in thiophene can be completely replaced by selenium or oxygen of the same family, which can be used in the active layer materials of organic solar cells. This article mainly describes the application of selenium instead of sulfur in OSCs.

Janus Type Monolayers of S-MoSiN2 Family and Van Der Waals Heterostructures with Graphene: DFT-Based Study.

Novel representative 2D materials of the Janus type family X-M-ZN2 are studied. These materials are hybrids of a transition metal dichalcogenide and a material from the MoSi2N4 family, and they were constructed and optimized from the MoSi2N4 monolayer by the substitution of SiN2 group on one side by chalcogen atoms (sulfur, selenium, or tellurium), and possibly replacing molybdenum (Mo) to tungsten (W) and/or silicon (Si) to germanium (Ge). The stability of novel materials is evaluated by calculating phonon spectra and binding energies. Mechanical, electronic, and optical characteristics are calculated by methods based on the density functional theory. All considered 2D materials are semiconductors with a substantial bandgap (>1 eV). The mirror symmetry breaking is the cause of a significant built-in electric field and intrinsic dipole moment. The spin-orbit coupling (SOC) is estimated by calculations of SOC polarized bandstructures for four most stable X-M-ZN2 structures. The possible van der Waals heterostructures of considered Janus type monolayers with graphene are constructed and optimized. It is demonstrated that monolayers can serve as outer plates in conducting layers (with graphene) for shielding a constant external electric field.

Trimetallic Chalcogenide Species: Synthesis, Structures, and Bonding.

In an attempt to isolate boron-containing tri-niobium polychalcogenide species, we have carried out prolonged thermolysis reactions of [Cp*NbCl4] (Cp* = ɳ5-C5Me5) with four equivalents of Li[BH2E3] (E = Se or S). In the case of the heavier chalcogen (Se), the reaction led to the isolation of the tri-niobium cubane-like cluster [(NbCp*)3(μ3-Se)3(BH)(μ-Se)3] (1) and the homocubane-like cluster [(NbCp*)3(μ3-Se)3(μ-Se)3(BH)(μ-Se)] (2). Interestingly, the tri-niobium framework of 1 stabilizes a selenaborate {Se3BH}- ligand. A selenium atom is further introduced between boron and one of the selenium atoms of 1 to yield cluster 2. On the other hand, the reaction with the sulfur-containing borate adduct [LiBH2S3] afforded the trimetallic clusters [(NbCp*)3(μ-S)4{μ-S2(BH)}] (3) and [(NbCp*)3(μ-S)4{μ-S2(S)}] (4). Both clusters 3 and 4 have an Nb3S6 core, which further stabilizes {BH} and mono-sulfur units, respectively, through bi-chalcogen coordination. All of these species were characterized by 11B{1H}, 1H, and 13C{1H} NMR spectroscopy, mass spectrometry, infrared (IR) spectroscopy, and single-crystal X-ray crystallography. Moreover, theoretical investigations revealed that the triangular Nb3 framework is aromatic in nature and plays a vital role in the stabilization of the borate, borane, and chalcogen units.

Covalent alteration of Ti3C2Tx MXene layers by selenium decoration for enhanced electrochemical capacitance

Covalent surface modification of two-dimensional nanomaterials, such as MXene, is a crucial technique to tune the properties of such nanomaterials. Ti3C2Tx with semi-metallic selenium (Se) atoms has been rationally designed and successfully synthesized by facile solid-state chemistry. The electrochemical capacitance of the synthesized pristine Ti3C2Tx and Se/Ti3C2Tx has been assessed basis on assembled symmetric and asymmetric supercapacitors with 1 M Na2SO4 neutral electrolyte. The Se/Ti3C2Tx supercapacitor exhibited a high specific capacitance of 96 F g−1, which is about 53 % higher than the synthesized Ti3C2Tx. Furthermore, a high areal capacitance (485.97 mF cm−2), very good energy density (30 Wh kg−1) and power density (124.7 W kg−1), as well as cycling stability (~90 % capacitance retention over 3000 cycles) were obtained for the Se/Ti3C2Tx supercapacitor. These enhancements are attributed to the larger specific surface area, the reduction of fluorine content, and charge polarization imposed by the TiSe2 binding sites. The asymmetric integrated supercapacitor also not only delivered a good capacitive performance but also demonstrated very high energy and power densities in comparison with the pristine Ti3C2Tx nanosheets.

Selenium Atom-Polarization Effect Determines TrxR-Specific Recognition of Metallodrugs.

Thioredoxin reductase (TrxR) is highly overexpressed in cancer cells to promote malignant tumor survival. Designing drugs that inhibit TrxR activity is a promising approach to achieve highly effective cancer chemotherapy. However, the selectivity of TrxR inhibitors continue to be a challenge for scientists. In this work, we demonstrate a new strategy to selectively inhibit TrxR through constructing electrophilic center -N-Se(δ+)-N- by using the polarization effect of the selenium atom. The constructed electrophilic center interacts noncovalently with the active motif of TrxR to avoid the interference of other residues in human tissues, thereby selectively inhibiting intracellular TrxR activity. Computational and experimental analysis confirms that the formed electrophilic selenium center preferred to attack the SeC residues in the redox active center of TrxR at the 498 site through strong noncovalent interactions. Both in vitro and in vivo experimental results confirmed that this strategy can significantly improve the anticancer effect. This study may provide a novel route to design highly effective and selective chemotherapeutic drugs.

Vibrational properties of YbAs2S4 and YbAs2Se4 compounds: by infrared spectroscopy

The atomic dynamics and vibrational properties of YbAs2S4 and YbAs2Se4 compounds has been studied. The studies were carried out by infrared spectroscopy at room temperature in the frequency range ν = 400–2000 cm−1. When analyzing the obtained spectra, 8 main maxima were observed. As a result of the analysis, it was found that these maxima correspond to the vibrations of the metal (As) – chalcogen (S,Se) bonds. The differences in the infrared spectra of the YbAs2S4 and YbAs2Se4 compounds are explained by the difference in the ionic radii of the sulfur and selenium atoms in the divalent state.

A Selenium-Substituted Heptamethine Cyanine Photosensitizer for Near-Infrared Photodynamic Therapy.

Photodynamic therapy (PDT) is a relatively safe approach to cancer treatment without significant systemic side effects or drug resistance. However, the current PDT efficiency is unsatisfactory due to the lack of near-infrared (NIR) photosensitizers. Heptamethine cyanine (Cy7) dyes are well-known NIR fluorophores and are also used as photosensitizers. But their singlet oxygen quantum yields (ΦΔ ) are not ideal. Herein, we developed an NIR photosensitizer with a long-lived excited triplet state (τ=4.3 μs) by introducing a selenium atom into the structure of a Cy7 dye. The new NIR photosensitizer exhibits a significantly high singlet oxygen quantum yield (ΦΔ =0.11). Its good PDT effect was demonstrated in the living cells. Considering that the selenium-substituted photosensitizer has a very low dark cytotoxicity and good chemical stability, we conclude that it will have a promising future in biomedical and clinical applications.

Investigation of near-room and high-temperature thermoelectric properties of (Bi0.98In0.02)2Se2.7Te0.3/Bi2Te3 composite system

Polycrystalline composite samples of (Bi0.98In0.02)2Se2.7Te0.3/Bi2Te3 with different concentrations of Bi2Te3 such as 5%,10%,15% and 20% were prepared by the solid-state reaction technique. The X-Ray diffraction analysis has shown the hexagonal composite crystal structure with space group of Roverline{3 }m. Field emission scanning electronic microscope shows secondary particles on the surface of the samples. All the samples have shown the usual semi-conducting behaviour throughout the temperature range. It is observed that bismuth has been co-ordinated with 6 selenium atoms in (Bi0.98In0,02)2Se2.7Te0.3 compound and it has enormous selenium vacancies. The electrical resistivity represents the noteworthy result of the grain boundaries leading to the higher content of scattering centres in the polycrystalline composite samples. It is found that the electronegativity differences of In and Te, In and Se are less than Bi and Se, Bi and Te is the reason for the decrease in Seebeck coefficient in the compound containing 15% and 20% of Bi2Te3.

Regio- and Stereoselective One-Pot Synthesis of New Heterocyclic Compounds with Two Selenium Atoms Based on 2-Bromomethyl-1,3-thiaselenole Using Phase Transfer Catalysis

To date, not a single representative of 2,3-dihydro-1,4-thiaselenin-2-yl selenides has been described in the literature. The reaction of 2-bromomethyl-1,3-thiaselenole with potassium selenocyanate at low temperature was accompanied by a rearrangement with ring expansion leading to six-membered 2,3-dihydro-1,4-thiaselenin-2-yl selenocyanate, which was used for the generation of sodium dihydro-1,4-thiaselenin-2-yl selenolate. The latter intermediate was involved in situ in the nucleophilic substitution and addition reactions under phase transfer catalysis conditions. The nucleophilic substitution reactions with alkyl halides gave alkyl, allyl and propargyl 2,3-dihydro-1,4-thiaselenin-2-yl selenides in 93–98% yields. The addition reactions of dihydro-1,4-thiaselenin-2-yl selenolate anion to alkyl acrylates, acrylonitrile and alkyl propiolates proceeded in a regio- and stereoselective fashion affording corresponding functionalized 2,3-dihydro-1,4-thiaselenin-2-yl selenides in 93–98% yields. Thus, the regio- and stereoselective one-pot synthesis of a novel family of 2,3-dihydro-1,4-thiaselenin-2-yl selenides has been developed based 2-bromomethyl-1,3-thiaselenole, potassium selenocyanate, alkyl halides and compound with activated double and triple bonds.

Porphyrin based channel for separation of proton isotope: A density functional theory study

Porphyrin based 2D materials with single atom thickness and uniform pore size have not been explored for the proton isotopes separation. We computationally designed the porphyrin and its derivatives with the doping of oxygen, sulphur and selenium atoms and computed the kinetic energy barrier for H+, D+, and T+ permeation through porphyrin and core modified porphyrins by using M05-2X along with 6-31G (d,p). Zero-point energy is calculated at transition state for H+ and its other relevant isotopes permeation through porphyrin derivatives. Tunneling ratio of proton isotopes through these 2D structures is calculated by using zero-point energy (ZPE) difference of H+ to its isotopes. Core modification of porphyrin provides better tunneling ratio for proton isotopes. Among these, mono selenium heteroporphyrin provides the most suitable results. Our study provides the molecular level insight of permeation pathway for proton isotopes through these 2D materials.

Poly[3,6-bis(2-thienyl)diketopyrrolopyrrole-selenophene]: Effect of polymerization method on optical, electrochemical, and photovoltaic properties

Diketopyrrolopyrrole-based polymers have attracted considerable interest due to their tunable electronic properties in organic electronic applications. In this work, poly[3,6-bis(2-thienyl)diketopyrrolopyrrole-selenophene] (PDPP-2 T-Se) was synthesized by two different polymerization techniques (Stille coupling and direct C-H arylation) and the effect of polymerization method on chemical and physical properties was studied. The impact of selenium atom on optical, electrical and photovoltaic properties and its comparative studies with previously reported sulfur counterpart poly[3,6-bis(2-thienyl)diketopyrrolopyrrole-thiophene] (PDPP-3 T) were also performed. Chemical and physical characterizations of these polymers were carried out using 1HNMR, FT-IR, gel permeation chromatography, UV-Vis-NIR absorption, photoluminescence, thermal gravimetric analysis, and cyclic voltammetry. Optical absorption spectra indicate that polymer has a broad absorption band from near-infrared region to visible range (950–400 nm). Photovoltaic devices were fabricated using solution-processable deposition of PDPP-2 T-Se as a donor material blended with PC71BM as an acceptor material with device structure ITO/MoOx/active layer/Al and shows a power conversion efficiency of 2.55% under ambient conditions. To get better insight into the structure-properties relationship, computational calculations were carried out on polymers PDPP-2 T-Se and PDPP-3 T.

Syntheses, and Structural and Physical Properties of Axially Chiral Biaryl Dicarboxylic Acids Bearing Chalcogen Atoms

The preparation, optical resolution, and structural investigations of a series of axially chiral biaryl dicarboxylic acids bearing oxygen, sulfur, and selenium atoms were carried out. The crystal structures of sulfur- and selenium-containing derivatives revealed that the carboxy groups of these compounds are located in a co-planar geometry with the fused aromatic rings including the chalcogen atoms. These conformational controls were found to be achieved by chalcogen-bonding interactions between chalcogen atoms in the aromatic rings and oxygen atoms in the carboxy groups. Even in the case of a binaphthofuran derivative, in which the formation of chalcogen-bonding interactions was expected to be negligible, the carboxy groups were also found to be located in a co-planar geometry toward its fused cyclic rings. Natural bond orbital (NBO) analyses of these dicarboxylic acids indicated the formation not only for the chalcogen-bonding interactions for S and Se derivatives, but also the tetrel-bonding interactions between the oxygen atoms in the carboxy groups and the carbon atoms in the fused cyclic rings for all biaryl dicarboxylic acids. These tetrel-bonding interactions were thought to contribute to conformational control in the binaphthofuran derivative. Physical and chiroptical properties such as the racemization barriers and circular dichroism (CD) spectra of these biaryl dicarboxylic acids were also revealed.

Ti3C2T x MXene anchoring semi-metallic selenium atoms: self-powered photoelectrochemical-type photodetector, hydrogen evolution, and gas-sensing applications

MXenes have demonstrated substantial promise as photocatalysts and electrocatalysts for a variety of applications such as self-powered photoelectrochemical (PEC)-type photodetector, hydrogen evolution reaction (HER), and vapor sensing applications. However, their mechanism is still poorly figured out. Currently, Ti3C2T x MXene suffers from low photoresponsivity, high overpotential, and low sensitivity in such important applications. In order to develop catalytic activity and performances of those devices, modifications must be made to the structure of MXenes to enhance the separation of photogenerated charges, rate of the H+/e− couplings, and surface-active sites. These manipulations of MXenes heavily depend on understanding the mechanism of devices, appropriate modification elements, and the method of modification. This study for the first time reveals a facile solid-state annealing strategy for doping semi-metallic selenium (Se) atoms on Ti3C2T x MXene for self-powered PEC-type photodetector, HER, and vapor sensor applications. The suitable characteristics of Ti3C2T x make it an appropriate substrate to accommodate Se atoms. The well-designed Se-doped Ti3C2 heterojunction including some TiO2 cuboids could exhibit unprecedented photoresponsivity (up to 90 mA W−1) and detectivity (up to 2.0 × 108 cm Hz1/2 W−1) for 420 nm light, HER (−0.7 V at 10 mA cm−2), and gas sensitivity (Z′ = 347 Ω and Z′′ = 150 Ω, for ethanol) in comparison with the pristine Ti3C2T x nanosheets. The acquired promising results can be promoted with some other elements and also be examined in other electrolytes. Then, bring inspiration to the applications involving charge transfer, H+/e− couplings, and surface-active sites.

Unexpected one-pot formation of a selenophene by the reaction of 2,3-dichloropropene with selenium in hydrazine hydrate–KOH: Spectroscopic monitoring and quantum-chemical study

A one-pot reaction of 2,3-dichloroprop-1-ene with selenium in the system hydrazine hydrate-KOH affords 1,2-bis((5-methylselenophen-3-yl)methyl)diselane. The structure of compound diselane has been proved by XRD, IR, and NMR (1H, 13C, 77Se) techniques. The reaction of 2,3-dichloroprop-1-ene with K2Se at 50°C has been monitored by IR and UV spectroscopy. The mechanism of diselane formation includes the migration of a selenium atom along the propenyl chain, which most likely occurs through the generation of a seleniranium intermediate. Such a transformation has been studied using quantum-chemical calculations (DFT (B3LYP)).

A series of selenium-containing non-fullerene acceptors with side chain engineering for organic solar cells

Non-fullerene acceptors (NFAs) have been crucial in improving the efficiency of organic solar cells (OSCs) due to their attractive properties, such as strong light-harvesting ability, easily tunable energy levels, and high crystallinity. Nevertheless, general NFAs have limited light absorption, and studies on the design of NFAs that can absorb a broad range of the solar spectrum and that offer complementary absorption to that of donors should be conducted. Because selenium, a chalcogen element, can induce strong intermolecular Se⋯Se interactions, planarity, and extended effective conjugated length in OSC materials, NFAs with selenium usually exhibit redshifted absorption. Here, we synthesized a series of selenium-containing non-fullerene acceptors with different inner alkyl chain lengths, named Se-Y6-BO (2,2'-((2Z, 2′Z)-((12,13-bis(2-butyloctyl)-3,9-dinonyl-12,13-dihydroselenopheno[2″,3'':4′,5']thieno[2′,3':4,5]pyrrolo[3,2-g]selenopheno[2′,3':4,5]thieno [3,23,2-b] [1,2,5]thiadiazolo [3,43,4-e]indole-2,10-diyl)bis(methanylylidene))bis(5,6-dichloro-3-oxo-2,3-dihydro-1H-indene-2,1-diylidene))dimalononitrile) and Se–Y6-HD (2,2'-((2Z, 2′Z)-((12,13-bis(2-hexyldecyl)-3,9-dinonyl-12,13-dihydroselenopheno[2″,3'':4′,5']thieno[2′,3':4,5]pyrrolo[3,2-g]selenopheno[2′,3':4,5]thieno [3,23,2-b] [1,2,5]thiadiazolo [3,43,4-e]indole-2,10-diyl)bis(methanylylidene))bis(5,6-dichloro-3-oxo-2,3-dihydro-1H-indene-2,1-diylidene))dimalononitrile). The optical absorption of two selenium-containing NFAs was redshifted compared with that of Y6 due to the effect of selenium atoms in the backbone. The PM6:Se-Y6-BO-based devices achieved a power conversion efficiency (PCE) of 13.8% with an open-circuit voltage (VOC) of 0.81 V, short-circuit current density (JSC) of 24.4 mA cm−2, and a fill factor of 0.70. Similarly, the OSCs based on PM6:Se–Y6-HD achieved a PCE of 13.6% and a JSC of 23.7 mA cm−2.