Synergistic Doping Strategy with Novel Multi-Carbonyl Conductive Polymer Enables Stable Self-Powered Perovskite Photodetectors.

Lead halide perovskites hold immense promise for optoelectronic applications but still suffer from instability caused by defects. The defects are mainly generated from the film fabrication processes and halide ion migration during long-term storage. Here, a synergistic doping strategy is proposed to enhance the stability of perovskites.

Efficient Perovskite Solar Cells Based on Tin Oxide Nanocrystals with Difunctional Modification.

Tin oxide (SnO ) nanocrystals-based electron transport layer (ETL) has been widely used in perovskite solar cells due to its high charge mobility and suitable energy band alignment with perovskite, but the high surface trap density of SnO nanocrystals harms the electron transfer and collection within device. Here, an effective method to achieve a low trap density and high electron mobility ETL based on SnO nanocrystals by devising a difunctional additive of potassium trifluoroacetate (KTFA) is proposed. KTFA is added to the SnO nanocrystals solution, in which trifluoroacetate ions could effectively passivate the oxygen vacancies (O ) in SnO nanocrystals through binding of TFA and Sn , thus reducing the traps of SnO nanocrystals to boost the electrons collection in the solar cell.

Multiple-Function Surface Engineering of SnO Nanoparticles to Achieve Efficient Perovskite Solar Cells.

The mismatched energy-level alignment and interface defects of the SnO nanoparticles' electron transport layer (ETL) and perovskite layer worsen the efficiency of the perovskite solar cell. Herein, we devise a multiple-function surface engineering of SnO nanoparticles. TBA ions improve the dispersion and stability of colloidal T-SnO nanoparticles and act as a bridge between the ETL and perovskite layer through the electrostatic interaction with anions, thus suppressing the charge recombination and reducing the energy loss.

Spray Coated Colloidal Quantum Dot Films for Broadband Photodetectors.

A technique for scalable spray coating of colloidal CdSeTe quantum dots (QDs) for photovoltaics and photodetector applications is presented. A mixture solvent with water and ethanol was introduced to enhance the adhesive force between QDs and the substrate interface. The performance of the detector reached the highest values with 40 spray coating cycles of QD deposition.

Fluorinated graphene as an anticancer nanocarrier: an experimental and DFT study.

The unique physicochemical properties and structure of fluorinated graphene (FG) hold great promise in biological fields, however, the strong hydrophobicity and chemical inertness heavily limit its further application, and the mechanism or utilization of FG as a drug nanocarrier has been rarely studied. Herein, a conceptual application of FG for loading doxorubicin (DOX) and cancer chemo-photothermal therapy is reported, and the interaction between FG and DOX was systematically investigated by density functional theory (DFT). To accomplish this, a mild method to synthesize stable and well-dispersed fluorinated graphene oxide (FGO) was developed, which exhibited excellent photothermal performance in the near infrared region (NIR), a high drug loading capacity (more than 200%), pH-triggered drug release, low cytotoxicity and good combination therapy effects.

Fluorinated carbon fiber as a novel nanocarrier for cancer chemo-photothermal therapy.

Although biomedical applications of carbon materials such as fullerenes, carbon nanotubes and graphene have been intensively studied in recent years owing to their unique chemical and physical properties, fluorinated carbon fiber (FC) has been rarely explored in biomedicine, mostly because of it's large-size, needle-like structure and strong hydrophobicity. In this study, for the first time we developed a novel FC-based nano-carrier with good biocompatibility, high drug-loading capacity and enhanced photo-thermal performance. A simple and feasible strategy is first employed to transform commercial FC into nano-sized ones with good solubility in both water and culture medium.

DFT study on the dissolution mechanisms of α-cyclodextrin and chitobiose in ionic liquid.

Density functional theory (DFT) was employed to study the dissolution mechanisms of α-cyclodextrin and chitobiose in 1-ethyl-3-methyl-imidazolium acetate ([Emim][OAc]). Geometrical analysis of the studied complexes indicated that both anion and cation in ionic liquid interacting withα-cyclodextrin and chitobiose contributed to the dissolution reaction. Intermolecular interactions in the complexes were identified as non-covalent interactions, such as hydrogen bonds, van der Waals interactions and repulsions, which were considered as the driving force of dissolution.

Theoretical study on the alkylation of o-xylene with styrene in AlCl-ionic liquid catalytic system.

To explore sustainable catalysts with innovative mechanisms, the alkylation mechanism of o-xylene with styrene was studied using DFT method in AlCl-ionic liquid catalytic system. The reaction pathway was consisted of CC coupling and a hydrogen shift, in which two transition states were found and further discussed. The reactive energy catalyzed by superelectrophilic AlCl (12.

Cellobiose as a model system to reveal cellulose dissolution mechanism in acetate-based ionic liquids: Density functional theory study substantiated by NMR spectra.

Cellulose dissolution mechanism in acetate-based ionic liquids was systematically studied in Nuclear Magnetic Resonance (NMR) spectra and Density Functional Theory (DFT) methods by using cellobiose and 1-butyl-3-methylimidazolium acetate (BmimAc) as a model system. The solubility of cellulose in ionic liquid increased with temperature increase in the range of 90-140°C. NMR spectra suggested OAc(-) preferred to form stronger hydrogen bonds with hydrogen of hydroxyl in cellulose.