Charge Transport Capability Research Articles

Hierarchical copper-based metal-organic frameworks nanosheet assemblies for electrochemical ascorbic acid sensing

Noninvasive human health monitoring requires the development of efficient electrochemical sensors for the quantitative analysis of infinitesimal biomolecules. In this work, we reported a novel hierarchical nanosheet assemblies (HSA) of copper-based metal-organic frameworks (MOFs) as an electrochemical sensor for ascorbic acid (AA) detection. Copper 1,4-benzenedicarboxylate (CuBDC) HSA was constructed by three steps of in situ growth on stone paper, including hydrolysis, anion exchange, and heteroepitaxy growth. The monodispersed two-dimensional MOFs nanosheet units were aligned in an orderly manner and arranged into three-dimensional hierarchical assemblies. The CuBDC HSA-based AA sensor displayed a high sensitivity of 396.8 μA mM-1 cm-2 and a low detection limit of 0.1 μM. Excellent selectivity, stability and reproducibility were also obtained. Benefiting from the advantages of ultrathin nanosheets and nature-inspired hierarchy, this unique architecture facilitated reactant dispersion and maximized the accessible active sites and charge-transport capability and thus had superior catalytic ability for the electro-oxidation of ascorbic acid compared to bulk MOFs. Moreover, the CuBDC HSA sensor performed AA level detection in juice samples with acceptable accuracy and verified the feasibility for sweat AA sensing. This novel MOFs architecture holds great potential as an electrochemical sensor to detect AA for noninvasive human health monitoring in the future.

ZIF – 67 derived hybrid CuCo2S4@MoS2 catalyst for efficient electrocatalytic hydrogen evolution reaction

Developing hybrid metal sulfide electrocatalyst with excellent hydrogen evolution reaction (HER) catalytic performance and stability is vital to its commercial applications. Herein, hybrid CuCo2S4@ MoS2 catalysts were designed with CuCo2S4 synthesized by using ZIF-67 as a template and externally decorated with MoS2. The hybrid catalysts (denoted as C@M-0.5, C@M ​− ​1, C@M ​− ​2) show improved catalytic activity than those of MoS2 and CuCo2S4 due to large surface area and the interface between nanoflower-like MoS2 and three-dimensional interconnected lamellar stacked CuCo2S4, which boost charge transport capability and improve the HER kinetic process. The influences of different ratio of CuCo2S4 to MoS2 on the electrocatalytic activity are investigated in detail. Specifically, C@M ​− ​1 exhibit the best HER performance with an overpotential of 143 ​mV@ 10 ​mA/cm2, a Tafel slope of 45.2 mV/dec and satisfactory long-time stability. This work rationally designs hybrid CuCo2S4@MoS2 catalyst to preserve the merits of using the ZIF-67 as a template and make use of the synergistic coupling effects between CuCo2S4 and MoS2, which can be extended to synthesize other catalysts in different energy conversion fields.

Molecular Engineering of Silicon Phthalocyanine to Improve the Charge Transport and Ammonia Sensing Properties of Organic Heterojunction Gas Sensors

AbstractNovel organic heterostructures fabricated with a bilayer consisting of an axially substituted silicon phthalocyanine (R2‐SiPc) derivative and lutetium bis‐phthalocyanine (LuPc2) are investigated for their ammonia sensing properties. Surface and microstructure characterization of the heterostructure films reveal either compact or highly porous surface topography in (345F)2‐SiPc and Cl2‐SiPc‐based heterostructures, while electrical characterization reveals a strong influence of the axial substituent in R2‐SiPc on NH3 sensing capabilities. Electrical characterization further demonstrates an apparent energy barrier for interfacial charge transport, which is higher in the (345F)2‐SiPc/LuPc2 heterojunction device. In‐depth charge transport studies by impedance spectroscopy further reveal a resistive interface in (345F)2‐SiPc/LuPc2 and faster bulk and interfacial charge transport in Cl2‐SiPc/LuPc2 heterojunction devices. Different interfacial charge transport capabilities and surface topographies affect NH3 sensing properties of the two heterojunction devices, in which (345F)2‐SiPc/LuPc2 reveals a fast and non‐linear response with a limit of detection (LOD) of 310 ppb, while Cl2‐SiPc/LuPc2 exhibits a slow, and linear response to NH3 with LOD of 100 ppb. Finally, different metrological parameters of the two sensors are correlated to the respective gas‐material interactions, in which adsorption and diffusion regimes are modulated by the surface topography and hydrophobicity of the sensing layer.

Facilitated charge transfer in ZnIn2S4@CuInP2S6 heterojunctions towards efficient photocatalytic H2 generation

Accelerating charge separation and migration in semiconductor photocatalysts is the key for acquiring high performance in the photocatalytic hydrogen generation reaction. In this work, a new ZnIn2S4/CuInP2S6 hetero-structured system (ZIS/CIPS) is designed and constructed. Owing to the presence of face-to-face hetero-interface with high charge-transport capability, the photocatalytic hydrogen generation rate of ZIS/CIPS dramatically enhanced (76.2 μmol h−1) under the visible-light irradiation, which is up to 13 and 190 times compared to that of ZnIn2S4 and CuInP2S6 (CIPS), respectively.

Interfacial Coupling SnSe2 /SnSe Heterostructures as Long Cyclic Anodes of Lithium-Ion Battery.

Tin selenide (SnSe2 ) is considered a promising anode of the lithium-ion battery because of its tunable interlayer space, abundant active sites, and high theoretical capacity. However, the low electronic conductivity and large volume variation during the charging/discharging processes inevitably result in inadequate specific capacity and inferior cyclic stability. Herein, a high-throughput wet chemical method to synthesize SnSe2 /SnSe heterostructures is designed and used as anodes of lithium-ion batteries. The hierarchical nanoflower morphology of such heterostructures buffers the volume expansion, while the built-in electric field and metallic feature increase the charge transport capability. As expected, the superb specific capacity (≈911.4 mAh g-1 at 0.1 A g-1 ), high-rate performance, and outstanding cyclic stability are obtained in the lithium-ion batteries composed of SnSe2 /SnSe anodes. More intriguingly, a reversible specific capacity (≈374.7 mAh g-1 at 2.5 A g-1 ) is maintained after 1000 cycles. The internal lithium storage mechanism is clarified by density functional theory (DFT) calculations and in situ characterizations. This work hereby provides a new paradigm for enhancing lithium-ion battery performances by constructing heterostructures.

Charge Transport Capabilities of Dibenzo[n]phenacenes (n = 5–7): Influence of Trap States and Molecular Packing

A high carrier transport capability with strong π–π interactions is expected to result from the extension of π conjugation in small molecules. This is an important factor to create promising molecules, leading to the development of high-performance and new applications in organic electronic devices. We systematically demonstrate the charge transport capability and trap density of states in dibenzo[n]phenacenes (DBnPs) (n = 5–7) with a hybrid π structure between the phenacene and acene cores. A DB6P field-effect transistor (FET) achieves a relatively high-field-effect mobility beyond 2 cm2 V–1 s–1, which indicates excellent FET performance in comparison with DB5P and DB7P. The calculated charge-transfer integrals based on the crystal structure and the distribution of the trap density of states confirm the superior transport capability and FET properties in DB6P. We demonstrate that molecules with C2h symmetry result in high crystallinity and close packing in crystals, leading to high-performance FETs.

A simple doping strategy to improve PEDOT:PSS charge extraction capability in polymer solar cells

Black Phosphorus (BP) has shown great potential in optoelectronic devices due to its remarkable semiconductor properties. Herein, liquid-exfoliated BP nanosheets is doped into poly(3,4-ethylenedioxythiophene):polystyrene sulfonate (PEDOT:PSS) to form a hybrid hole transport layers (HTLs). The incorporation of BP nanosheets in PEDOT:PSS dramatically changes the nanostructure and electrical conductivity of film. The BP doped PEDOT:PSS HTLs possess excellent charge selectivity and transport capability, which are proved in non-fullerene and fullerene blend system based polymer solar cells (PSCs). Furthermore, the nanostructure of PM6:Y6 light absorber changes a lot after introduction of BP nanosheets. Thus, weak charge recombination loss, high exciton generation rate and dissociation probability, and low transport resistance are observed in BP nanosheets doped PEDOT:PSS HTLs based cells, which result in improved power conversion efficiency (PCE). As a result, significant improvement of PCE (>18%) is observed in both non-fullerene and fullerene blend systems based cells. This result demonstrates a simple and effective strategy to form efficient HTLs in high-efficiency PSCs.

Exploring π-extended subporphyrinoids as electron transporting materials in perovskite solar cells

Due to their strong acceptor properties and enhanced charge transport capabilities, non-fullerene electron acceptors based on [Formula: see text]-extended derivatives – subnaphthalocyanines (SubNc) or subphtalocyanine dimers (SubPc[Formula: see text] – have been employed in organic photovoltaics in the past as an alternative to the expensive fullerene. However, these promising [Formula: see text]-extended derivatives have not been explored in perovskite solar cell technology. In this work, we implement a vacuum-deposited very thin film of SubNc or SubPc2 as electron transport layers in perovskite solar cells. In particular, we demonstrate the excellent electron extraction properties of the thin films in contact with perovskite layer. The fabricated perovskite solar cells exhibit enhanced device performances with reduced hysteresis index and improved device stability. Our results validate the use of [Formula: see text]-extended subporphyrinoids as promising candidates for perovskite optoelectronics with enhanced stability properties, being essential for further commercialization of the perovskite technology.

Facile hydrothermal synthesis of cerium oxide/rGO nanocomposite for photocatalytic and supercapacitor applications

The unique features of graphene materials make them excellent catalysts for photodegradation and energy applications. In the present work, CeO2/reduced graphene oxide (rGO) nanocomposites were prepared by a simple one-pot hydrothermal method. The nanocomposite is found to have a mesoporous structure with a surface area of 100.129 m2g−1. With the preferentially small surface area of the nanocomposite and the ability of the rGO to act as electron acceptor, the CeO2/rGO photocatalyst supresses the electron-pair recombination during photodegradation, thereby achieving a quick and efficient degradation of Direct Green dye. Under the influence of UV light, the CeO2/rGO degrades 84.1% of the dye which is 1.5 times more efficient than blank CeO2. Further, due to the conducting nature of rGO, the nanocomposites have also been evaluated for their electrochemical performance. It has been found that the addition of rGO results in a high capacitance (410.8 Fg−1 at current density of 1.0 Ag−1) and stability (94% after 500 cycles) of the CeO2/rGO electrode. The present work projects the excellent charge transport capability of rGO based CeO2 nanomaterials for dual applications in the areas of photocatalysis and electrocatalysis.

Facile preparation of hexagonal WO3 nanopillars and its reduced graphene oxide nanocomposites for high-performance supercapacitor

One-dimensional (1D) nanostructures are extremely important due to better charge transport capabilities. The ability to anchor 1D semiconductor nanostructures on graphene may give advantages in electrochemical charge storage applications. In this study, the authors explored the synthesis, growth mechanism, and insertion-type pseudocapacitive properties of 1D hexagonal (h) phase-WO3 (h-WO3) nanopillars and h-WO3/rGO nanocomposite. The nanocomposite is composed of h-WO3 nanopillars uniformly grown on a reduced graphene oxide (rGO) matrix and the resulting h-WO3/rGO nanocomposite shows the hexagonal structure and, 3D networks gathered during a hydrothermal process. XRD confirms the phase purity and crystalline nature, SEM confirms the hexagonal bundled nanopillar morphology of h-WO3 and its graphene composites, and rGO offered crumpled two-dimensional sheet-like morphologies. HRTEM and SAED analysis confirmed the highly oriented growth of h-WO3 nanowire along the [001] zone axis. XPS analysis confirms the presence of tungsten in +6 and + 5 oxidation states, indicating the formation of the oxygen-deficient h-WO3-x structure. The electrochemical characterizations are performed using cyclic voltammetry (CV), galvanostatic charge-discharge (GCD), electrochemical impedance spectroscopy (EIS), and stability tests. From the CV measurements, the outperformed exceptional h-WO3 and h-WO3/rGO nanocomposites exhibit specific capacitance (Csp) of ∼545 Fg−1 and ∼926 Fg−1, respectively, at a 5 mVs−1 scan rate, and from GCD measurements Csp found to be ∼504 Fg−1 and ∼991 Fg−1, respectively at 0.1 Ag−1 current density. Supercapacitor capacitances with carbon and metal oxide electrodes are typically related to the accessible surface areas. However, this work indicates that proton insertion, a rare capacitive charge storage mechanism, may significantly increase the capacitance of metal oxides with a limited surface area but a particular structure. Nonetheless, using the proton insertion process, scientists have shown that the electrodes made from an assembly structure of h-WO3 nanopillars have enhanced charge storage performance. According to detailed investigations, the electrochemical behavior of h-WO3 is dominated by the proton insertion mechanism and is critical in achieving high capacitance by eliminating alternative mechanisms. This research work presents a novel method for attaining extraordinary charge storage contribution into the ordered tunnels in crystalline metal oxides due to efficient proton insertion, which is especially significant for the construction of high-performance electrochemical energy storage systems: batteries and supercapacitors.

Impact of charge character on anionic cyanine-based organic salt photovoltaics

Small bandgap organic compounds with absorption in the near-infrared are exciting materials for a variety of applications ranging from light harvesters in photovoltaics to active agents in photodynamic therapy. Organic salts, a class of small molecule organic compounds comprised of an ionic chromophore and a counterion, have been used in opaque and transparent photovoltaics, primarily as donor materials in bilayer architectures. They possess excellent molecular extinction coefficients with near-infrared selective absorption, adjustable bandgaps, and tunable energy levels. To approach organic salt photovoltaics from a new perspective, we fabricated devices with an unexplored group of anionic salts comprised of a near-infrared absorbing chromophore paired with a varying number of cationic counterions. We observed different donor and acceptor decay trends in external quantum efficiencies that allowed us to separate and independently quantify exciton diffusion and charge transfer for each salt. Increased charge character on the chromophore greatly improves hole transport, as anions with a net −3 charge have charge collection lengths greater than four times those of corresponding singly charged chromophores. This presents an interesting platform for independent quantification of exciton diffusion and charge transport of an active material in a single photovoltaic device and demonstration of the important role of charge on the chromophore. The dependence of charge transport capabilities on charge character of the chromophore will be a useful tool in the design of future organic salts to engineer materials for higher efficiency transparent photovoltaics.

Gadolinium-doped SnO2 electron transfer layer for highly efficient planar perovskite solar cells

Metal halide perovskite solar cells have experienced unexpected rapid growth in the past decade due to their excellent photoelectric conversion efficiency. SnO2 has attracted great attention as a candidate electron transport layer to replace TiO2 in perovskite solar cells. However, the mixture of crystalline and amorphous states produces a large number of oxygen vacancy defects in the SnO2 lattice and surface, leading to nonradiative recombination at the SnO2/perovskite interface. In this work, an effective method of doping the rare earth element Gd in SnO2 is developed for planar perovskite solar cells. Doping with Gd ions can effectively passivate oxygen vacancy defects at the SnO2 interface, leading to a decrease in surface energy, which contributes to facilitating the formation of high-quality perovskite films. Gd doping can also optimize the energy level matching between SnO2 and the perovskite layer, thus improving the charge extraction and transport capabilities. As a result, the optimized device achieves a high power conversion efficiency of 22.40%, with a certified value of 21.95%.

Additive engineering on spiro-OMeTAD hole transport material for CsPbI3 all-inorganic perovskite solar cells with improved performance and stability

CsPbI3 all-inorganic perovskite has now drawn much attention due to its superior thermal stability compared with the organic-inorganic hybrid counterparts. Despite the great progress achieved recently in this field, CsPbI3 still suffers from low phase stability when exposed to moisture. We found the phase transition of CsPbI3 would be accelerated after depositing the conventional hole transport material (HTM) 2,2′,7,7′-Tetrakis[N,N-di(4-methoxyphenyl)amino]− 9,9′-spirobifluorene (spiro-OMeTAD). This is attributed to the negative effects of the additives in spiro-OMeTAD HTM: the hydrolysis of lithium bis(trifluoromethylsulfonyl)imide (LiTFSI), the corrosivity of 4-tert-butylpyridine (TBP), and the evaporation of TBP. By slightly modifying the additive content, full coordination between LiTFSI and TBP could be achieved and the negative effects mentioned above could be mitigated. Furthermore, tris(2-(1 H-pyrazol-1-yl)− 4-tert-butylpyridine)cobalt(III)-tris(bis(trifluoromethylsulfonyl)imide) (Co(III)TFSI) was added to promote oxidation of spiro-OMeTAD HTM in inert environment. With these approaches of additive engineering, HTMs with better interface contact and charge transport capability could be obtained. The device with optimized spiro-OMeTAD HTM achieved a champion power conversion efficiency (PCE) of 10.61% compared with 6.63% of the control one. Moreover, the optimal device maintained 81% of its initial PCE after storage for 30 days, exceeding that (68%) of the control one. Our results highlight the importance of spiro-OMeTAD HTM on the stability of CsPbI3 all-inorganic perovskite and provide a facile and feasible way to increase the stability and performance of corresponding solar cells.

Effective Passivation with Size‐Matched Alkyldiammonium Iodide for High‐Performance Inverted Perovskite Solar Cells

AbstractOrganic ammonium salts have been widely used for defect passivation to suppress nonradiative charge recombination in perovskite solar cells (PSCs). However, they are prone to form undesirable in‐plane favored 2D perovskites with poor charge transport capability that hamper device performance. Herein, the defects passivation role of alkyldiammonium including 1.6‐hexamethylenediamine dihydriodide (HDAI2), 1,3‐propanediamine dihydriodide (PDAI2), and 1.4‐butanediamine dihydriodide (BDAI2) for formamidinium‐cesium perovskite is systematically investigated. With help of density functional theory (DFT) calculations, BDA with suitable size can synergistically passivate two defect sites on perovskite surfaces, showing the best defect passivation effect among the above three alkyldiammonium salts. Perovskite films based on BDAI2 modification are found to keep the 3D perovskite phase with considerably reduced trap‐state density, and enhanced carrier extraction. As a result, the BDAI2‐modified devices deliver impressive efficiencies of 23.1% and 20.9% for inverted PSCs on the rigid and flexible substrates, respectively. Moreover, the corresponding encapsulated rigid devices maintain 92% of the initial efficiency after operating under continuous 1‐sun illumination with the maximum power point tracking for 1000 h. Furthermore, the mechanical flexibility of the BDAI2‐modified flexible device is also improved due to the release of residual stress.

Can Something that is Called “Sub” be Superb? The Case of Subphthalocyanines

Subphthalocyanines (SubPcs) are well-known cone-shaped chromophores consisting on three 1,3-diiminoisoindole units assembled around a boron atom. As a result of their 14 pi-electron aromatic core and their tetrahedral geometry, SubPcs exhibit outstanding physical and optoelectronic properties (e.g., strong dipole moment, excellent light absorption in the 550-650 nm, rich redox features, and excellent charge transport capabilities), that have been skilfully used in variety of applied fields, such as molecular photovoltaics, among others. SubPcs were used by us as non-fullerene acceptors in bulk heterojunctions (BHJ) solar cells. On the other hand as part of our systematic investigation in the preparation and study of novel SubPc-based D–A systems, we have used 1,1,4,4-tetracyanobuta-1,3-diene (TCBD) as partner for SubPcs. Moreover, in the case of unsymmetrically substituted SubPcs (i.e., prepared by cyclotrimerization of a phthalonitrile with no C2v symmetry), they present inherent chirality and the corresponding couple of enantiomers can be isolated Columnar aggregates based on chiral SubPcs have been also prepared, giving rise to ferroelectric self-assembled molecular materials showing both rectifying and switchable conductivity. These chromophores have been incorporated in multicomponent systems showing a panchromatic response and allowing the tuning and controlling intramolecular FÖRSTER Resonance Energy Transfer for Singlet Fission.

Synergistically enhancing electrocatalytic activity of Co2P by Cr doping and P vacancies for overall water splitting

Designing high-performance and earth-abundant bifunctional catalysts for electrocatalytic water splitting remains a great challenge. Herein, a novel electrode composed of Cr-doped Co2P with P vacancies nanowire arrays (denoted as CrCo2P(Vp) NWs) grown on nickel foam was fabricated via a hydrothermal and successive calcination method. The Cr doping and vacancy engineering synergistically enable the exposure of more active sites, optimize electronic structure, and accelerate the charge transport capability, thus enhancing the hydrogen evolution reaction (HER) and oxygen evolution reaction (OER) performances. As a result, the obtained Cr0.4Co2P(Vp) NWs catalyst exhibits superior catalytic activities in 1.0 M KOH solution with low overpotentials of 37 mV at −10 mA cm−2 for HER and 253 mV at 20 mA cm−2 for OER, respectively. Furthermore, using Cr0.4Co2P(Vp) NWs as a dual-function catalyst only requires 1.54 V voltage at 10 mA cm−2 for overall water splitting. Notably, the Cr0.4Co2P(Vp) NWs catalyst displays satisfactory stability with only a small attenuation of 3.2% after 50 h in a constant current testing. This study highlights the synergistic effect between doping and anion-vacancies in the enhancement of electrocatalytic activities and provides a feasible strategy to design effective, earth-abundant, and stable bifunctional electrocatalysts for water splitting.

Nanostructured and nanocomposite Tungsten Oxide electrodes for electrochemical energy storage: A Short Review

The stable and efficient supercapacitor investigation synthesized tungsten-based oxides using many approaches. The impact of the tungsten precursor on the product was significant in this research, and the most important consequences are highlighted. Supercapacitors and other energy storage devices have been using tungstate metal oxide because of its high electrical conductivity as well as low manufacturing costs. This article is mostly about how tungsten oxide-based electrodes for supercapacitors (SCs) and batteries have changed in recent years. Electrodes for energy storage devices made of nanostructured materials can benefit from a variety of features, including high surface-to-volume ratios, excellent charge transport capabilities, as well as excellent physical-chemical properties. Nanostructures and nanocomposites for supercapacitors and storage applications will be summarized in this paper.

Harnessing the Defects at Hetero‐Interface of Transition Metal Compounds for Advanced Charge Storage: A Review

The ability of transition metal compounds (TMCs; e.g., transition metal oxides, transition metal dichalcogenides) to achieve maximum energy and power density is undermined by their marginal electrical and ionic conductivity. There has been rapidly growing interest in a paradigm enabled by the construction of heterostructured TMCs over the past decades because it can increase the charge transport and storage capabilities of TMC‐based electrodes. The introduction of defects is a critical tool that allows the manipulation of heterostructures by altering the electronic structure and stress field. In this way, the electrochemical performance of the material can be optimized. Herein, recent progress in the development of heterostructured TMCs from the perspective of defects is comprehensively discussed. It is emphasized the mechanisms by which defects influence the electrochemical performance of heterostructures and effective strategies to incorporate the 0D to 2D defects (vacancies, elemental doping, lateral hetero‐interface, lattice mismatch, etc.) around the hetero‐interface, which is a focus that differs from previous reviews of heterostructured TMCs. Related problems and future directions in the defect chemistry of heterostructured TMCs are also discussed. This review highlights the significance of defects for guiding the rational design of TMC electrodes for use in advanced energy storage devices.

13‐5: Quantum‐Dot‐in‐Perovskite Near‐Infrared Light‐Emitting Diodes

Quantum dots represent a unique class of solution‐processed semiconductors with unprecedented optoelectronic properties such as charge transport capability and light absorption/emission. Regarding the latter, the electroluminescence of these nanocrystals can spun a wide wavelength range from the visible to the near infrared through size engineering. However, they exhibit low photoluminescence quantum yield and inferior charge transport properties which hinders their application to light‐emitting diodes. On the other hand, halide perovskite semiconductors exhibit high charge carrier mobility and photoluminescence quantum efficiency approaching unity. However, their emission maxima cannot spun the whole near infrared range due to bandgap induced limitations. Here, we report unique combinations of these classes of semiconductors that allowed the fabrication of efficient near infrared electroluminescent hybrid quantum dot‐in‐perovskite device. In the first approach, core‐shell carbon polymer quantum dots were embedded into the perovskite emissive layer to induce passivation of defect sites and modify the nanomorphology hence resulting to significant efficiency enhancement. In the second approach, silica‐encapsulated silver sulphide quantum dots served as the emissive nanocrystals that were dispersed in a caesium‐containing triple cation perovskite matrix. The latter acted as a highly conductive medium that also offers effective passivation to the emissive nanocrystals. As a result, high external quantum efficiency for a long near infrared wavelength peak electroluminescence was achieved.

Terthiophene based non-fused electron acceptors for efficient organic solar cells

Designing electron acceptors with fully non-fused chemical structures is an effective method to solve the cost issue in the application of organic solar cells (OSCs). In this work, two A-D-A type non-fullerene acceptors (NFAs) with easy synthesis processes, namely A3T-2 and A3T-5, were designed and synthesized by using non-fused terthiophene as the D-skeleton and “open mode” or “closed-loop mode” substituted functional groups as the side chain modifiers, respectively. The two NFAs show similar molecular energy levels, while the calculation results and the absorption spectra indicate that A3T-5 has a more stable and planar conformation, which is beneficial to realize efficient charge transport capability. The OSCs based on A3T-2 and A3T-5 were fabricated by using PBDB-TF as the electron donor in parallel, and the power conversion efficiencies are 6.20% and 7.03%, respectively, which are high values among the OSCs based on non-fused NFAs with terthiophene as D-cores. The more stable planar molecular conformation of A3T-5 and the lower miscibility in the PBDB-TF: A3T-5 blend enabled the higher current and the PCE obtained in PBDB-TF: A3T-5-based OSC than that of PBDB-TF: A3T-2-based one. This work shows great potential in realizing efficient photovoltaic properties by employing non-fused acceptors via appropriate molecular design.