Intracellular Gold Nanocluster/Organic Semiconductor Heterostructure for Enhancing Photosynthesis.

Photosynthetic microorganisms, which rely on light-driven electron transfer, store solar energy in self-energy carriers and convert it into bioenergy. Although these microorganisms can operate light-induced charge separation with nearly 100% quantum efficiency, their practical applications are inherently limited by the photosynthetic energy conversion efficiency. Artificial semiconductors can induce an electronic response to photoexcitation, providing additional excited electrons for natural photosynthesis to improve solar conversion efficiency. However, challenges remain in importing exogenous electrons across cell membranes. In this work, we have developed an engineered gold nanocluster/organic semiconductor heterostructure (AuNC@OFTF) to couple the intracellular electron transport chain of living cyanobacteria. AuNC@OFTF exhibits a prolonged excited state lifetime and effective charge separation. The internalized AuNC@OFTF permits its photogenerated electrons to participate in the downstream of photosystem II and construct an oriented electronic highway, which enables a five-fold increase in photocurrent in living cyanobacteria. Moreover, the binding events of AuNC@OFTF established an abiotic-biotic electronic interface at the thylakoid membrane to enhance electron flux and finally furnished nicotinamide adenine dinucleotide phosphate. Thus, AuNC@OFTF can be exploited to spatiotemporally manipulate and enhance the solar conversion of living cyanobacteria in cells, providing an extended nanotechnology for re-engineering photosynthetic pathways.

Replacing the cyano (-C[triple bond, length as m-dash]N) group to design environmentally friendly fused-ring electron acceptors.

The cyano-group (-C[triple bond, length as m-dash]N) is an electron-withdrawing group, which has been widely used to construct high-performance fused-ring electron acceptors (FREAs). Benefiting from these FREAs, the power conversion efficiency of organic solar cells has recently exceeded 18%. However, malononitrile is a highly toxic substance used to introduce -C[triple bond, length as m-dash]N during the synthesis of these FREAs. Therefore, the synthesis processes of most high-performance FREAs are typically harmful to the environment. Our previous work demonstrated that the electron-withdrawing ability of -C[triple bond, length as m-dash]N is necessary for FREAs. Thus, the use of other electron-withdrawing groups instead of -C[triple bond, length as m-dash]N to design environmentally friendly FREAs is feasible. We utilized seven electron-withdrawing groups, namely, -C[double bond, length as m-dash]NH, -N[double bond, length as m-dash]O, -CH[double bond, length as m-dash]O, -CO-CH3, -CO-OH, -CO-Cl, and -CO-Br, to replace -C[triple bond, length as m-dash]N in the commonly used acceptor Y6 to design new FREAs (Y6-CNH, Y6-NO, Y6-CHO, Y6-COCH3, Y6-COOH, Y6-COCl, and Y6-COBr). Multi-scale theoretical calculation methods were used to investigate the photoelectronic properties of these new FREAs, including energy level, absorption spectrum, exciton binding energy, and electron mobility. The results showed that Y6-CNH, Y6-COCH3 and Y6-COOH are unsuitable for use as acceptor materials because of their high frontier molecular orbital energy level and weak electron affinity. The strong absorption intensity and weak exciton binding energy of Y6-CHO, Y6-COCl, and Y6-COBr indicated that they can absorb more solar energy than Y6 and excitons are easier to separate into free charges. The electron mobility of Y6-CHO (3.53 × 10-4 cm2 V-1 s-1) was found to be approximately 28 times that of Y6-COCl (1.24 × 10-5 cm2 V-1 s-1) and Y6-COBr (1.28 × 10-5 cm2 V-1 s-1). The possible synthetic routes to Y6-CHO are environmentally friendly. Therefore, -CH[double bond, length as m-dash]O is the most suitable electron-withdrawing group for constructing high-performance environmentally friendly FREAs. This work can provide a new molecular design perspective in experimental science for developing high-performance environmentally friendly FREAs.

Detecting Air Pollutant Molecules Using Tube-Shaped Single Electron Transistor.

An air pollution detector is proposed based on a tube-shaped single-electron transistor (SET) sensor. By monitoring the flow control component of the detector, each air pollutant molecule can be placed at the center of a SET nanopore and is treated as an island of the SET device in the same framework. Electron transport in the SET was incoherent, and the performances of the SET were sensitive at the single molecule level. Employing first-principles calculations, electronic features of an air pollutant molecule within a tube-shaped SET environment were found to be independent of the molecule rotational orientations with respect to axis of symmetry, unlike the electronic features in a conventional SET environment. Charge stability diagrams of the island molecules were demonstrated to be distinct for each molecule, and thus they can serve as electronic fingerprints for detection. Using the same setup, quantification of the air pollutant can be realized at room temperature as well. The results presented herein may help provide guidance for the identification and quantification of various types of air pollutants at the molecular level by treating the molecule as the island of the SET component in the proposed detector.

Structure and Stability of Aromatic Nitrogen Heterocycles Used in the Field of Energetic Materials.

Understanding the stabilization of nitrogen heterocycles is critical in the field of energetic materials and calls for innovative knowledge of nitrogen aromatics. Herewith, we report for the first time that nitrogen lone pair electron (NLPE) delocalization in five-membered nitrogen heterocycles creates a second σ-aromaticity in addition to the prototypical π-aromaticity. The NLPE delocalization and the attendant dual-aromaticity are enhanced as more carbon atoms in the ring are substituted by unsaturated nitrogen atoms. The presence of adjacent nitrogen atoms in the ring can enhance the aromaticity of the nitrogen heterocycles and improve in-crystal intermolecular binding strength but will decrease the firmness of the individual molecular architecture. Notably, such σ-aromaticity is not present in six-membered nitrogen heterocycles, probably due to the longer bonds and broader regions of their rings; therefore, six-membered heterocycles present overall lower aromaticity than five-membered heterocycles. This work brings new knowledge to nitrogen aromatics and is expected to inspire broad interest in the chemistry community.

Mechanism and Functionality of Pnictogen Dual Aromaticity in Pentazolate Crystals.

Our recent work (J. Phys. Chem. Lett. 2019, 10, 2378) reported the discovery of the abnormal pnictogen dual aromaticity (π and σ) in cyclo-N5- , which makes the anion unstable in nature but confers enhanced stability in sufficiently acid solution. Herein, we present systematic quantum calculations on the structures, energetics and dynamics of the pentazolate salt and metal pentazolate hydrates, focusing on the mechanism and functionality of the pnictogen dual aromaticity in these crystals, which are verified by experiments. We find that owning a net charge of -e is crucial to the formation of the dual aromaticity and the stabilization of the cyclo-N5- . The competition between the dual aromaticity and the proton affinity drives the cyclo-N5- to be unreactive to acid and remain unprotonated in these crystals. We decompose the crystal packing effect into pure mechanical compression and interspecies nonbonding interactions, and figure out that the type and number of the adjacent counterions of the cyclo-N5- anion, instead of the compression effect, accounts for the protonation state reversion in the vacuum and in the crystal. The current work supports our original conclusion (Science 2018, 359, eaas8953) and is expected to provide compelling evidence against the current debate on the cyclo-N5- stability (Science 2018, 359, eaao3672; J. Phys. Chem. Lett. 2018, 9, 7137; J. Am. Chem. Soc. 2019, 141, 2984).

Energetic Butterfly: Heat-Resistant Diaminodinitro trans-Bimane.

Due to a significant and prolific activity in the field of design and synthesis of new energetic molecules, it becomes increasingly difficult to introduce new explosophore structures with attractive properties. In this work, we synthesized a trans-bimane-based energetic material-3,7-diamino-2,6-dinitro-1H,5H-pyrazolo-[1,2-a]pyrazole-1,5-dione (4), the structure of which was comprehensively analyzed by a variety of advanced spectroscopic methods and by X-ray crystallo-graphy (with density of 1.845 g·cm-3 at 173 K). Although obtained crystals of 4 contained solvent molecules in their structure, state-of-the-art density functional theory (DFT) computational techniques allowed us to predict that solvent-free crystals of this explosive would preserve a similar tightly packed planar layered molecular arrangement, with the same number of molecules of 4 per unit cell, but with a smaller unit cell volume and therefore higher energy density. Explosive 4 was found to be heat resistant, with an onset decomposition temperature of 328.8 °C, and was calculated to exhibit velocity of detonation in a range of 6.88-7.14 km·s-1 and detonation pressure in the range of 19.14-22.04 GPa, using for comparison both HASEM and the EXPLO 5 software. Our results indicate that the trans-bimane explosophore could be a viable platform for the development of new thermostable energetic materials.

Mild Synthesis of Copper Nanoparticles with Enhanced Oxidative Stability and Their Application in Antibacterial Films.

Copper nanoparticles possess unique physical and chemical properties; however, their application is often restricted, owing to their tendency to oxidize. In this work, we prepared copper nanoparticles with enhanced oxidative stability via a simple and low-cost method, where a modified starch was used as an environmentally friendly reducing agent and biocompatible polyethylenimine was used as a stabilizer. The prepared copper nanoparticles could be stored in air for at least 6 months without any oxidation in a dried state. Interestingly, our synthesis could even be performed at room temperature with a longer reaction time. We used various characterization methods to study the reaction mechanism. The prepared copper nanoparticles were further uniformly doped into an agar film, and this composite showed excellent bacterial killing efficiency, owing to the antibacterial properties of the copper nanoparticles. Our composite film shows potential for various clinical applications, such as wound dressing materials.

Tunable fluorescence behaviors of a supramolecular system based on a fluorene derivative and cucurbit[8]uril and its application for ATP sensing.

In this work, we developed a supramolecular fluorescent system based on host-guest interactions between a fluorene derivative carrying two bispyridinium units (FPy) and cucurbit[8]uril (CB[8]). In aqueous solution, the system showed outstanding tunable emission properties. After being encapsulated into the rigid hydrophobic cavity of the CB[8] host, the fluorescence emission of fluorene had an obvious red-shift with enhanced quantum yield. Interestingly, the emission behavior of the FPy/CB[8] complex showed a two-step self-assembly process when the molar ratio of FPy to CB[8] changed from 1 : 1 to 1 : 2. Besides, the influence of several factors on the emission properties of the FPy/CB[8] complex was also investigated, like pH value, salt concentration, and temperature. Finally, the fluorescent FPy/CB[8] complexes displayed a good performance for detection of adenosine-5'-triphosphate (ATP), which can cause aggregation-induced quenching of the complexes via electrostatic attraction.

Room-temperature NaI/H2O compression icing: solute-solute interactions.

In situ Raman spectroscopy revealed that transiting the concentrated NaI/H2O solutions to an ice VI phase and then into an ice VII phase at 298 K proceeds in a way different from that activated by the solute type. Unlike the solute type that raises both the critical pressures PC1 and PC2, for the liquid-VI, the VI-VII transition simultaneously occurs in the Hofmeister series order: I > Br > Cl > F ∼ 0; concentration increase raises the PC1 faster than the PC2 that remains almost constant at higher NaI/H2O molecular number ratios. Concentration increase moves the PC1 along the liquid-VI phase boundary and it finally merges with PC2 at the triple-phase junction featured at 350 K and 3.05 GPa. The highly-deformed H-O bond is less sensitive to the concentration because of the involvement of anion-anion repulsion that weakens the electric field in the hydration shells. Observations confirm that the salt solvation lengthens the O:H nonbond and softens its phonon but relaxes the H-O bond contrastingly. Compression, however, has the opposite effect from that of salt solvation. Therefore, compression recovers the polarization-deformed O:H-O bond first and then proceeds to the phase transitions. The anion-anion interaction discriminates the effect of NaI/H2O concentration from that of the solute type at an identical concentration on the phase transitions.

Nonbonding Electron Delocalization Stabilizes the Flexible N8 Molecular Assembly.

Electron delocalization has an important impact on the physical properties of condensed materials. However, the L-electron delocalization in inorganic, especially nitrogen, compounds needs exploitation to improve the energy efficiency, safety, and environmental sustainability of high-energy-density materials (HEDMs). This Letter presents an intriguing N8 molecule, ingeniously utilizing nitrogen's L-electron delocalization. The molecule, exhibiting a unique lollipop-shaped conformation, can fold at various angles with very low energy barriers, self-assembling into environmentally stable, all-nitrogen crystals. These crystals demonstrate unparalleled stability, high energy density, low mechanical sensitivity, and optimal electronic thermal conductivity, outperforming existing HEDMs. The remarkable properties of these designed materials are attributed to two distinct delocalized systems within nitrogen's L-shell: π- and lone pair σ-electrons, which not only stabilize the molecular structure but also facilitate interconnected 3D networks of intermolecular nonbonding interactions. This work might pave the way to the experimental synthesis of environmentally stable all-nitrogen solids.

Application of magnetic enhanced bio-effect on nitrification: a comparative study of magnetic and non-magnetic carriers.

A novel magnetic carrier with surface magnetic field of 4 mT was developed for studying the magnetic enhanced bio-effect on nitrification. The bio-effect on nitrificaton induced by the magnetic carrier was studied by comparing the performance of sequencing batch biofilm reactors filled with magnetic (MC) and non-magnetic (NMC) carriers. The result showed that the bioreactor with MC had better performance for nitrification than bioreactor with NMC. During the biofilm culturing period, the time required for nitrification formation in biofilm of the MC reactor was 25% less than that for the NMC reactor. The results also showed that the ammonium oxidation rate of the MC reactor was 1.6-fold faster than that in the NMC reactor at high influent NH4-N concentration, while nitrite oxidation rate was always accelerated regardless of influent NH4-N concentration. The specific oxygen uptake rate analysis revealed that ammonia and nitrite oxidation activities in biofilm of the MC reactor were 1.65 and 1.98 times greater than those of the NMC reactor, respectively.

Seedless wet synthesis of copper-twinned nanocrystals.

The wet synthesis of copper (Cu)-twinned nanostructures often requires the addition of noble metal seeds, as twinned Cu seeds are prone to oxidative etching, which inevitably introduces other metal species. In this study, a universal and seedless wet method is proposed for the synthesis of various Cu-twinned nanostructures, such as large Cu decahedrons (with sizes up to 300 nm), singly twinned Cu right bipyramids, and Cu nanorods. The amount of chloride ions (Cl-) and oleylamine and an optimal heating rate at the initial stage were proven to be crucial in this synthesis. Theoretical results revealed that the amount of Cl- could adjust the Gibbs free energy of Cu seeds by promoting the dissociation of oleylamine, which, in turn, determined the structure of thermodynamically favorable seeds based on the thermodynamic model. To the best of our knowledge, this is the first report on large Cu decahedrons and singly twinned Cu right bipyramids. Moreover, they both showed strong localized surface plasmon resonance in the near-infrared region. The photothermal conversion efficiency of large Cu decahedrons increased up to 52.9% upon 808 nm laser irradiation, which is the highest value ever reported for Cu nanocrystals.

Molecular Engineering Modulating the Singlet-Triplet Energy Splitting of Indolocarbazole-Based TADF Emitters Exhibiting AIE Properties for Nondoped Blue OLEDs with EQE of Nearly 20.

The development of efficient blue thermally activated delayed fluorescence (TADF) emitters with an aggregation-induced emission (AIE) nature, for the construction of organic light-emitting diodes (OLEDs), is still insufficient. This can be attributed to the challenges encountered in molecular design, including the inherent trade-off between radiative decay and reverse intersystem crossing (RISC), as well as small singlet-triplet energy splitting (ΔEST) and the requirement for high photoluminescence quantum yields (ΦPL). Herein, we present the design of three highly efficient blue TADF molecules with AIE characteristics by combining π-extended donors with different acceptors to modulate the differences in the electron-donating and electron-withdrawing abilities. This approach not only ensures high emission efficiency by suppressing close π-π stacking, weakening nonradiative relaxation, and enhancing radiative transition but also maintains the equilibrium ratio between the triplet and singlet excitons by facilitating the process of RISC. These emitters exhibit AIE and TADF properties, featuring quick radiative rates and low nonradiative rates. The ΦPL of these emitters reached an impressive 88%. Based on their excellent comprehensive performance, nondoped PICzPMO and PICzPMO OLEDs achieved excellent electroluminescence performance, exhibiting maximum external quantum efficiency (EQEmax) of up to 19.5%, while the doped device achieved a higher EQEmax of 20.8%. This work demonstrated that by fusing π-extended large rigid donors with different acceptors, it is possible to regulate the difference in electron-donating and electron-withdrawing abilities, resulting in a small ΔEST, high ΦPL, and fast RISC process, which is a highly feasible strategy for designing efficient TADF molecules.

Controllable Gold Nanocluster-Emulsion Interface for Direct Cell Penetration and Photothermal Killing.

In the view of their ability to be uptaken by cells, colloidal particles can exert diverse physiological effects and are promising vehicles for the intracellular delivery of biologically active substances. Given that the modulation of biomaterial interfaces greatly facilitates the prediction and control of the corresponding cellular responses, the interfacial behavior of hydrophobic dye-modified gold (Au) nanoclusters (Au NCs) is rationally designed to develop Au NC-containing emulsions and control their biointerfacial interactions with cell membranes. The observed biological performance is indicative of a physical penetration mechanism. The amphiphilic Au NCs decrease the interfacial energy of two immiscible liquids and hinder droplet coalescence to facilitate the formation of emulsions thermodynamically stabilized by dipole-dipole and hydrophobic interactions. Moreover, the amphiphilic Au NCs are localized on the emulsion droplet surface and form segregated interfacial microdomains that adapt to the membrane structure and facilitate the traverse of the emulsions across the cell membrane via direct penetration. Fast penetration coupled with excellent photophysical performance endows the emulsions with multifluorescence tracing and efficient photothermal killing capabilities. The successful change of the interaction mode between NCs and biological objects and the provision of a universal formulation to modulate biointerfacial interactions are expected to inspire new bioapplications.

Conjugated Molecule-Assisted Supramolecular Hydrogel with Enhanced Antibacterial and Antibiofouling Properties.

The hydrogel using natural and synthetic polymers to create a cross-linking network has drawn attention in diverse bioapplications. However, inhibition of bacterial infection is still a challenge for hydrogel's wide application. In this work, we reported a supramolecular hydrogel with a good antibacterial property built from conjugated molecules. The water-soluble molecular 4,7-bis[9,9-di(2-carboxy-ethyl)-fluoren-2-yl]-2,1,3-benzothiadiazole (OFBTCOOH) physically linked with monomers via hydrophobic interaction. The free-radical polymerized poly(N-acryloyl glycinamide) was hydrogen-bond cross-linked by dual amides in the side chains to form a hydrogel. An adjustable micro-network was obtained by increasing OFBTCOOH with evidence of enhanced intermolecular interaction. The successfully integrated OFBTCOOH could be excited upon light irradiation. The energy of triplet-state excitons of OFBTCOOH transferred to the ground-state oxygen to produce singlet oxygen, which endowed the hydrogel with the antibacterial property. Meanwhile, the superhydrophilic surface of the hydrogel can bind water molecules to form a stable hydration layer, which acted as barriers to resist protein and bacterial adsorption and achieve the anti-biofouling goal. The ease in introducing conjugated polyelectrolytes may provide a formulation to functionalize hydrogels via various physical interactions.

Chloride-ion-directed synthesis of plate-like Cu2O mesocrystals for effective nitrogen fixation.

Cuprous oxide (Cu2O) mesocrystals, which are composed of numerous nanocrystals with a common crystallographic orientation, are supposed to possess superior photocatalytic abilities than the normal constructions, but very few of them have been reported to date. In this work, plate-like Cu2O mesocrystals were successfully fabricated via a facile one-pot wet chemical strategy. Unlike the commonly used polymers or small molecules, chloride ions (Cl-) were employed as structure-directing agents and played the main role in the Cu2O mesocrystal formation. The formation mechanism was interpreted as follows: the presence of Cl- inhibited the formation of CuO and Cu by forming the intermediate product CuCl, which was further hydrolyzed to Cu2O nanocrystals. Cl- tended to adsorb on the (111) facets of the formed Cu2O nanocrystals and stabilize them. Then the Cu2O nanocrystals were aligned side by side through the unabsorbed side faces, leading to mutual nanocrystals orientation and crystallographic lock-in, facilitating the formation of plate-like Cu2O mesocrystals. The polymer, polyacrylamide (PAM), also promoted the mesocrystals formation by serving as a stabilizer and fixed the crystallographic orientation of the Cu2O nanocrystals during their orderly stacking process. The plate-like Cu2O mesocrystals showed a long decay time and pronounced performance toward the visible-light-driven photocatalytic reduction of N2 into NH3. This research may stimulate in-depth investigations into the exploration of new synthetic methods for the design and construction of novel mesocrystals.

Controlling the Interaction between Fluorescent Gold Nanoclusters and Biointerfaces for Rapid Discrimination of Fungal Pathogens.

Nondestructive detection and discrimination of fungal pathogens is essential for rapid and precise treatment, which further effectively prevents antifungal resistance from overused drugs. In this work, fluorescent gold nanoclusters served as the basis for discriminating Candida species. Varied on surface ligands, these gold nanoclusters demonstrated different optical properties as a result of the perturbation effects of ligands. The biointerface interaction between the surface ligands of gold nanoclusters and the cell walls of Candida species can be constructed, and their restriction on ligands perturbation effect produced enhanced fluorescence signals. Owing to the variation of the cell wall composition, cells of different Candida species demonstrated different degrees of association with the gold nanoclusters, leading to discriminable amounts of fluorescence enhancements. The reverse signal response from these gold nanoclusters gives rise to a synergistic and effective assay that allows identification of Candida species.

Effective Design Strategy for Aggregation-Induced Emission and Thermally Activated Delayed Fluorescence Emitters Achieving 18% External Quantum Efficiency Pure-Blue OLEDs with Extremely Low Roll-Off.

High-color purity organic emitters with a simultaneous combination of aggregation-induced emission (AIE) and thermally activated delayed fluorescence (TADF) characteristics are in great demand due to their excellent comprehensive performances toward efficient organic light-emitting diodes (OLEDs). In this work, two D-π-A-structure emitters, ICz-DPS and ICz-BP, exhibiting AIE and TADF properties were developed, and both the emitters have narrow singlet (S1)-triplet (T1) splitting (ΔEST) and excellent photoluminescence (PL) quantum yields (ΦPL), derived from the distorted configurations and weak intra/intermolecular interactions, suppressing exciton annihilation and concentration quenching. Their doped OLEDs based on ICz-BP provide an excellent electroluminescence external quantum efficiency (ηext) and current efficiency (ηC) of 17.7% and 44.8 cd A-1, respectively, with an ηext roll-off of 2.9%. Their nondoped OLEDs based on ICz-DPS afford high efficiencies of 11.7% and 30.1 cd A-1, with pure-blue emission with Commission Internationale de l'Éclairage (CIE) coordinates of (0.15, 0.08) and a low roll-off of 6.0%. This work also shows a strategy for designing AIE-TADF molecules by rational use of steric hindrance and weak inter/intramolecular interactions to realize high ΦPL values, fast reverse intersystem crossing process, and reduced nonradiative transition process properties, which may open the way toward highly efficient and small-efficiency roll-off devices.

Atomic Bonding and Electronic Binding Energy of Two-Dimensional Bi/Li(110) Heterojunctions via BOLS-BB Model.

Combining the bond-order-length-strength (BOLS) and atomic bonding and electronic model (BB model) with density functional theory (DFT) calculations, we studied the atomic bonding and electronic binding energy behavior of Bi atoms adsorbed on the Li(110) surface. We found that the Bi atoms adsorbed on the Li(110) surface form two-dimensional (2D) geometric structures, including letter-, hexagon-, galaxy-, crown-, field-, and cobweb-shaped structures. Thus, we obtained the following quantitative information: (i) the field-shaped structure can be considered the bulk structure; (ii) the field-shaped structure of Bi atom formation has a 5d energy level of 22.727 eV, and in the letter shape structure, this energy is shifted to values greater than 0.342 eV; and (iii) the Bi/Li(110) heterojunction transfers charge from the inner Li atomic layer to the outermost Bi atomic layer. In addition, we analyzed the bonding and electronic dynamics involved in the formation of the Bi/Li(110) heterojunctions using residual density of states. This work provides a theoretical reference for the fine tuning of binding energies and chemical bonding at the interfaces of 2D metallic materials.

Intramolecular Charge Transfer-Based Conjugated Oligomer with Fluorescence, Efficient Photodynamics, and Photothermal Activities.

To develop efficient photoactive agents with satisfactory fluorescence, photodynamic, and photothermal effects is crucial for a phototherapeutic strategy to combat cancer diseases and pathogenic microbes. Herein, a water-soluble donor-acceptor-donor (D-A-D) structured conjugated oligomer was designed and synthesized, consisting of two cyclopenta-dithiophene (CDT) units as the electron donor and boron dipyrromethene (BODIPY) as the electron acceptor. Upon excitation, dual emission was observed for CDT-BODIPY with blue and red fluorescence peaks at 463 nm and at 730 nm, respectively, which was ascribed to intramolecular charge transfer (ICT). Due to the ICT effect, the singlet-to-triplet intersystem crossing rate of CDT-BODIPY was also enhanced, leading to an outstanding photodynamic behavior to produce reactive oxygen species (ROS). Meanwhile, its low bandgap also enabled it a moderate photothermal capability with a conversion efficiency of 33.1%. Taking advantage of its phototriggered activities, this conjugated oligomer exhibited an effective inhibition behavior on the pathogenic growth of Escherichia coli (E. coli), Staphylococcus aureus (S. aureus), and Candida albicans (C. albicans), which can be guided by dual-wavelength fluorescence imaging. This D-A-D type conjugated oligomer with balanced photophysical characteristics provides a promising strategy to imaging-guided photoactive therapy.