The NH3 sensing performance of the self-powered sensor based on MXene/CuO was greatly improved, and the mechanism of the enhanced sensing properties was systematically discussed.A recent study associates carbon with single photon emitters (SPEs) in hexagonal boron nitride (h-BN). This observation, together with the high mobility of carbon in h-BN, suggests the existence of SPEs based on carbon clusters. Here, by means of density functional theory calculations, we studied clusters of substitutional carbon atoms up to tetramers in h-BN. Two different conformations of neutral carbon trimers have zero-point line energies and shifts of the phonon sideband compatible with typical photoluminescence spectra. Moreover, some conformations of two small C clusters next to each other result in photoluminescence spectra similar to those found in the experiments. We also showed that vacancies are unable to reproduce the typical features of the phonon sideband observed in most measurements because of the large spectral weight of low-energy breathing modes, ubiquitous in such defects.A physical impregnation method is presented in this study, providing a facile approach to encapsulating functional guest molecules (GMs) into robust crystalline supramolecular organic frameworks incorporating cucurbit[10]uril (Q[10]-SOF). As Q[10]-SOF has high evaporated pyridine affinity under normal atmospheric pressure, pyridine molecules in this method were successfully encapsulated into the nanospace formed by GMs and Q[10]-SOF while retaining their crystal framework, morphology, and high stability. Ipatasertib Akt inhibitor GMs@Q[10]-SOF solid materials were found to respond to pyridine, being suitable to be used as solid sensors. Notably, Q[10]-SOF loading with pyrene exhibited a unique response to pyridine along with dramatic fluorescence quenching; loading with dansyl chloride exhibited a unique response to pyridine along with significant fluorescence enhancement, having a quick response within 60 s. Our findings represent a critical advancement in the design of pyridine detection and adsorption for commercial gas identification and sensing.Multicolor turning holds great promise in optical intelligent recognition and optical imaging. Here, Er3+, Yb3+, and In codoped ZnO (Er/Yb/IZO) with a uniform block strucuture is obtained. The doping of In3+ ions enhances the multicolor upconversion luminescence (UCL) intensity of Er/Yb/IZO. Particularlly, the UCL of Er/Yb/I2ZO turns from red through yellow to dominant green emission via increasing density power from 2.54 to 10.19 W/cm2, thus realizing the power sensitiviy. First-principles theory is used to design a In3+, Yb3+, and Er3+ codoped ZnO. The band structure, total density of state and optical coefficient of Er/Yb/IZO have been studied via a generalized gradient approximation within density functional theory (DFT). The potential electron density and total electron density of the O atom increase with In3+ and Er3+/Yb3+ doping, which indicate that substitution of Zn2+ by In3+ and Er3+/Yb3+ generate positive vacancies on the surface. The band gap of Er/Yb/IZO decreases compare with that of pure ZnO. Furthermore, the optical coefficient of In3+ doping is enhanced compare with that of pure ZnO via using DFT calculations.The holy grail identified by Orgel in his 1995 Account was the development of novel chemical systems that evolve using reactions in which replication and information transfer occur together. There has been some success in the adaption of nucleic acids to make artificial analogues and in templating oligomerization reactions to form synthetic homopolymers, but replication of sequence information in synthetic polymers remains a major unsolved problem. In this Account, we describe our efforts in this direction based on a covalent base-pairing strategy to transfer sequence information between a parent template and a daughter copy. Oligotriazoles, which carry information as a sequence of phenol and benzoic acid side chains, have been prepared from bifunctional monomers equipped with an azide and an alkyne. Formation of esters between phenols and benzoic acids is used as the equivalent of nucleic base pairing to covalently attach monomer building blocks to a template oligomer. Sequential protection of the phenol sid that compete with the CuAAC process that zips up the duplex. In situ end-capping of the copy strand was found to be an effective general method for blocking intermolecular reactions between product duplexes. By selecting an appropriate concentration of an external capping agent, it is also possible to intercept macrocyclization of the reactive chain ends in the product duplex. The other side reaction observed is miscoupling of monomer units that are not attached to adjacent sites on the template, and optimization is required to eliminate these reactions. We are still some way from an evolvable synthetic polymer, but the chemical approach to molecular replication outlined here has some promise.Solar-driven conversion of nitrogen (N2) to ammonia (NH3) is highly appealing, yet in its infancy, the low photocatalytic efficiency and unclear adsorption and activation mechanisms of N2 are still issues to be addressed. In this study, ultrathin alloyed Mo1-xW x S2 nanosheets with tunable hexagonal (2H)/trigonal (1T) phase ratios were proposed to boost photoreduction N2 efficiency, while the mechanisms of N2 adsorption and activation were explored simultaneously. The alloyed Mo1-xW x S2 nanosheets for the 1T phase concentration of 33.6% and Mo/W = 0.680.32 were proven to reach about 111 μmol gcat-1 h-1 under visible light, which is 3.7 (or 3)-fold higher than that of pristine MoS2 (or WS2). With the aid of density functional theory calculations and in situ N2 adsorption X-ray absorption near-edge fine structure techniques, the adsorption and activation behaviors of N2 over the interface of Mo1-xW x S2 nanosheets were investigated during the N2 reduction process. The results show that the W doping causes a higher electron density state in W 5d orbitals, which can further polarize the adsorbed N2 molecules for adsorption and activation. This work provides a new insight into the adsorption and activation mechanisms for the NH3 synthesis.