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Metallene materials can provide a large number of active catalytic sites for the efficient use of noble metals as catalysts for hydrogen evolution reaction (HER), whereas the intrinsic activity on the surface is insufficient in crystal phase. The amorphous phase with an inherent long-range disorder can offer a rich coordinate environment and charge polarization on the surface is proposed for promoting the intrinsic catalytic activity on the surface of noble metals. Herein, we designed an amorphous RuPd (am-RuPd) structure by the first principles molecular dynamics method. The performance of the acidic HER on am-RuPd can have a huge enhancement due to the free energy change of hydrogen adsorption close to zero. In alkaline conditions, the H2O dissociation energy barrier on am-RuPd is just 0.49 eV, and it is predicted that the alkaline HER performance of am-RuPd will largely exceed that of Pt nanocrystalline sheets. This work provides a strategy for enhancing the intrinsic catalytic activity on the surface and a way to design an efficient HER catalyst based on metallene materials used in both acidic and alkaline conditions. [ABSTRACT FROM AUTHOR]

The electrochemical decomposition of water plays a critical role in green and sustainable energy. However, the development of efficient and low-cost non-noble metal catalysts to overcome the high potential of the anodic oxygen evolution reaction (OER) is still challenging. In this work, electrocatalysts with high OER activity were obtained by doping Co/Fe bimetals into Ni3S2 (CF-NS) via a simple single-step hydrothermal method by adjusting the doping ratio of bimetals. A series of characterization studies revealed that the introduction of a Co/Fe co-dopant increased the number of active sites and improved the electroconductibility, while optimizing the electronic structure of Ni3S2. Meanwhile, Fe-induced high valence Ni contributed to the production of an OER active phase NiOOH. The unique dendritic crystal morphology facilitated the disclosure of the active sites and the expansion of mass transfer channels. The optimized sample required a low overpotential of 146 mV to obtain a current density of 10 mA cm−2 in 1.0 M KOH solution. The optimized sample also operated stably for at least 86 h. In sum, the proposed method looks very promising for designing efficient, stable, and low-cost non-precious metal catalysts with high conductivity and multiple active sites, useful for future synthesis of transition metal sulfide catalysts. [ABSTRACT FROM AUTHOR]

Interfacial engineering has been proved as an effective strategy to passivate grain boundaries and surface defects for high performance solar cells. Herein, we report a nanocrystal interfacial engineering strategy using CsPbBrxI3−x as an interface modifier to increase the efficiency of MAPbI3-based solar cells. The CsPbBrxI3−x modification layer decreased the trap states, improved the energy alignment of the device, and enhanced the interfacial charge transfer and carrier extraction. Morphology and stability assessment demonstrated that the CsPbBrxI3−x modification reduces the surface roughness and enhances the environmental stability of photoactive MAPbI3 layers. The Br/I ratio was optimized to facilitate the energy-level matching with absorbers and hole transporting layers, which demonstrated the effectiveness of the trap state suppression and non-radiative recombination reduction. These merits facilitated the hole extraction rate so that the champion device achieved a power conversion efficiency of 19.16% with reduced hysteresis and long-term stability 16.06% greater than that of the unmodified device. Our work provides an effective and versatile perovskite nanocrystal interfacial engineering strategy that is important for the design of high-performance and long-lasting perovskite optoelectronic devices. [ABSTRACT FROM AUTHOR]

EMIm+, as a substitute for Li+, can solve the initial problems that accompany lithiation/delithiation processes on an anode. However, the larger size of EMIm+ limits the options when it comes to electrode materials. Herein, a multilayered Ti3C2Tx MXene was electrochemically pre-intercalated with Fe ions to achieve EMIm+ hosting abilities. As a result, a pre-intercalated MXene electrode exhibited enhanced EMIm+ transport and storage capabilities. When integrated with an EMIm+[PF6]− ionic liquid electrolyte, the assembled DIB provides an energy density of 76 W h kg−1 at a power density of 360 W kg−1, and 94.3% of the energy density is retained after 50 cycles. Compared with a pristine example, the Fe pre-intercalated Ti3C2Tx MXene showed a significant increase in electrochemical performance. Employing this approach to optimize layered materials may open up a new route for accurately tuning intercalated materials. [ABSTRACT FROM AUTHOR]

With the development of catalysis, self-cleaning, biomedicine, solid lubrication and precision contact technologies, there is increasing need for ultra-smooth and super-rough functional thin films. However, since the surface roughening mechanism of thin films remains vague, an effective method for in situ growth of ultra-smooth and super-rough films has not been proposed. In this paper, we find that the surface roughening rate (νR) is proportional to the relative vertical-growth coefficient of the mounds (δ) through a series of experiments and simulations on hafnium nitride, hafnium oxide and silver films, which are three typical covalent bonding, ionic bonding, and metallic bonding materials, respectively. This suggests that the formation conditions of the ultra-smooth and super-rough surfaces are δ ≪ 1 and δ ≫; 1, respectively. Therefore, we propose an effective idea for in situ growth of ultra-smooth and super-rough films, which is to suppress the vertical and horizontal mound growth, respectively. By periodically introducing an amorphous layer (e.g. a-CN) and doping the non-wetting inert metal (e.g. Ag) during the deposition process, we effectively suppress the vertical and horizontal mound growth to prepare ultra-smooth and super-rough hafnium nitride films, respectively. The results show that the roughness range of the hafnium nitride films deposited by the new method is about 5 times larger than that reported in previous studies. Therefore, this study provides a complete understanding of the surface roughening mechanism of thin films and develops a general method for the in situ growth of ultra-smooth or super-rough films. [ABSTRACT FROM AUTHOR]

The synthesis of ultrathin noble-metal-based alloy nanosheets with few-atomic-layer thickness remains a great challenge although they have attracted remarkable attention. Herein, ultrathin wrinkle-free Pd4Cu1 nanosheets with lateral size of 33.8 nm and thickness of 2.71 nm were successfully prepared using n-butylamine as a bifunctional agent. The ingenious structure possesses the highest electrochemically active surface area among the reported PdCu nanostructures. The quantum confinement and entrapment effects of the Pd4Cu1 nanosheets render the modulation of d-band electrons and weaken the adsorption of poisoning species, thus enhancing the performance towards methanol oxidation. The mass activity of the ultrathin wrinkle-free Pd4Cu1 nanosheets was 6.7-times and 4.8-times higher than that of commercial Pd black and Pt black, respectively. This study highlights the important role of designing ultrathin alloy nanosheets towards enhancing electrocatalytic performance. [ABSTRACT FROM AUTHOR]

There is an increasing demand for high-density memories with high stability for supercomputers in this big data era. Traditional dynamic random access memory cannot satisfy this requirement due to its limitation of volatile and power-consumable data storage. Multi-level cell phase-change memory (MLC PCM) based on phase-change materials possesses a higher storage density, and is considered to be the most promising candidate. However, a detrimental resistance drift exists commonly in phase-change materials, and it destroys the stability and greatly limits the development of MLC PCM. Here, we propose a completely new strategy to suppress resistance drift by exploring its microscopic mechanism via combinations of theoretical calculations and experiments. We have found, for the first time, that resistance drift originates from the change in electron binding energy induced by structural relaxation and is proportional to the reciprocal of the dielectric coefficient according to the hydrogen-like model. On this basis, we propose to reduce the resistance drift by increasing the thermal stability of the dielectric coefficient. Two series of experiments prove the effectiveness of our new strategy. The resistance drift exponent of phase-change films is significantly reduced to 0.023 using our strategy, which is lower by half than the best result (0.050) reported previously. Interestingly, the films also show improved storage properties. These results not only unravel the fact that the stability and storage function of phase-change films can be simultaneously improved by modification of dielectric properties but also pave the way for future material design for stable MLC PCM. [ABSTRACT FROM AUTHOR]

We report an investigation of the interactions of Li with silicene. We find silicene to be a promising anode material for high energy density lithium-ion batteries. Based on first-principles calculations, we study the interaction between Li and silicene and explore the microscopic mechanism of Li storage on silicene. We find that Li ion is adsorbed on hollow sites at a very low concentration of less than 1.56%. At a high concentration of Li, the Li chains with up-down pairs on top sites become popular. With the formation of the Li chains, the local structure of silicene is modulated. In addition, the electronic states near the Fermi level are found to be renormalized. There is no obvious charge transfer from Li to Si, distinct from the C based materials, although the local charge distributions are polarized under the trapping of Li, implying a greater chemical interaction than that of the weak interaction with graphene. It is predicted that the capacity of silicene can reach 1196 mA h g−1 due to Li intercalation without the breaking of the Si–Si bonds. [ABSTRACT FROM AUTHOR]

A ∼200 K superconducting phase in dense hydrogen sulfide is an important milestone for the development of novel superconductors with high critical temperature. Here, we systematically studied the effect of uniaxial strain on the electronic and superconducting properties in dense H3S using density functional calculations. Our theoretical results show that inducing strain is an effective tool to control the electronic Fermi surface topology, logarithmic average frequency, and electron–phonon coupling parameter of dense H3S. Thus, uniaxial strain induces sensitive and considerable changes in superconducting critical temperature, which stem from the energy-level shifts and softening lattice vibrations. [ABSTRACT FROM AUTHOR]

Photoelectrochemical (PEC) water splitting offers a promising chance for energy generation on a global scale. TiO2 is a widely used photoanode material due to its superior properties and stability. However, the PEC efficiency of TiO2 is usually impeded by the fast recombination of photo-generated electron/hole pairs and the poor charge transfer ability that could be improved by band alignment and imperfection passivation, respectively. Herein, we first report that ZIF-8 is an efficient imperfection passivating layer which acts as a bifunctional cocatalyst for transferring/separating electron/hole pairs for improving the photo/photoelectrochemical performance. This work provides a new insight to investigate the charge interaction mechanism between the interface of TiO2 and ZIF-8. [ABSTRACT FROM AUTHOR]

We solve the longstanding puzzle of pressure induced structural evolution of SnSe using a swarm structure search method combined with first-principles phonon and kinetic barrier calculations. Our results identify a dynamic set of nearly degenerate crystalline SnSe phases that are separated by low kinetic barriers and undergo an unusual type of structural transitions characterized by a dynamically changing mix of the constituent phases. We introduce a new concept of structural metatransition to highlight the transitional nature of such phase transitions. Our theoretical prediction is corroborated by X-ray diffraction measurements, and this intriguing phenomenon offers insights into the enigmatic property variations of SnSe under pressure. This work raises prospects of considerably improving characterization and understanding of intrinsic multiphase crystals and their dynamic evolution. [ABSTRACT FROM AUTHOR]

A plasmonic bimetallic nanostructure has attracted considerable attention as a promising catalyst for light-driven catalytic reactions. The stability and recovery of the catalysts are still key issues for sustainable development of green chemistry. In this work, we designed and implemented an Au/Pd heterojunction@mesoporous SiO2 yolk–shell nanostructure (Au/Pd@m-SiO2 yolk–shell NPs) for plasmon-enhanced photocatalysis. The heterojunction of Au/Pd enhances the separation of hot electrons and holes under visible light irradiation, and the mesoporous SiO2 shell protects the active Au/Pd NPs from aggregation. The Au/Pd@m-SiO2 yolk–shell NPs exhibit extremely high stability for the plasmon-enhanced catalytic reduction of p-nitrophenol (4-NP) under visible light irradiation. The merging of a plasmonic material and a yolk–shell nanostructure proposes a new way for designing catalysts with good stability and promising activity. [ABSTRACT FROM AUTHOR]

In this work, the adsorption of Rhodamine 6G molecules on some graphene substrates is investigated using density functional theory. Some simple models, such as those of perfect graphene, defective graphene, *O/*OH modified graphene and B/N doping graphene, are constructed as substrates to simulate graphene oxide and B/N doping graphene sheets. It is demonstrated that the interactions of Rhodamine 6G molecules with graphene materials are strong. In particular, the amine group of Rhodamine 6G molecules can favor the formation of a chemical bond with some graphene substrates characterized by under-coordinated atoms. The chemical interactions would lead to significant changes in the electronic structures of graphene substrates, which have the potential to tune the electronic properties of graphene. In addition, our calculations predict that the epoxy/hydroxyl group attached to the surface of graphene could be removed by Rhodamine 6G molecules, which suggests that the reduction reaction may occur in graphene oxide upon Rhodamine 6G doping. The surface plasmon resonance spectra of R6G adsorbed on some graphene substrates are also characterized, which are well in agreement with some computational results. Therefore, combined with experimental observations, our results provide an insight into the interaction of Rhodamine 6G molecules with graphene materials. [ABSTRACT FROM AUTHOR]

This paper presents a systematic investigation of a ZnMgO/InN core–shell nanorods heterojunction device on a p-Si substrate. Here we demonstrated the heteroepitaxial growth of the well-aligned ZnMgO/InN core–shell nanorods structure, which enabled an increased heterojunction area to improve the carrier injection efficiency of nanodevices by plasma-assisted molecular beam epitaxy combined with metal–organic chemical vapor deposition. In situ X-ray photoelectron spectroscopy measurements were performed on the ZnMgO nanorods, the interface of ZnMgO/InN and the InN core–shell nanorods to fully understand the structure and working mechanism of the heterojunction device. The current transport mechanism has been discussed in terms of the characteristics of current–voltage and the energy band diagram of the n-InN/ZnMgO/p-Si heterojunction. At a low forward voltage, the current transport followed the dependence of I∼V1.47, which was attributed to the deep-level assisted tunneling. When the forward voltage was larger than 10 V, the current followed the relation of I∼V2 because of the radiative recombination process. In accordance with the above conclusion, the near-infrared electroluminescence of the diode could be observed after the forward bias voltage up to 11.6 V at room temperature. In addition, the size quantization effect and the intrinsic electron accumulation of the InN core–shell nanorods were investigated to explain the blueshift and broadened bandwidth. Furthermore, the light output power of about 0.6 microwatt at a fixed wavelength of 1500 nm indicated that our study will further provide a useful route for realizing the near-infrared electroluminescence of InN on Si substrate. [ABSTRACT FROM AUTHOR]

Oxides with good p-type conductivity have been long sought after to achieve high performance all-oxide optoelectronic devices. Divalent Sn(ii) based oxides are promising candidates because of their rather dispersive upper valence bands caused by the Sn-5s/O-2p anti-bonding hybridization. There are so far few known Sn(ii) oxides being p-type conductive suitable for device applications. Here, we present via first-principles global optimization structure searches a material design study for a hitherto unexplored Sn(ii)-based system, ternary alkaline-earth metal Sn(ii) oxides in the stoichiometry of MSn2O3 (M = Mg, Ca, Sr, Ba). We identify two stable compounds of SrSn2O3 and BaSn2O3, which can be stabilized by Sn-rich conditions in phase stability diagrams. Their structures follow the Zintl behaviour and consist of basic structural motifs of SnO3 tetrahedra. Unexpectedly they show distinct electronic properties with band gaps ranging from 1.90 (BaSn2O3) to 3.15 (SrSn2O3) eV, and hole effective masses ranging from 0.87 (BaSn2O3) to above 6.0 (SrSn2O3) m0. Further exploration of metastable phases indicates a wide tunability of electronic properties controlled by the details of the bonding between the basic structural motifs. This suggests further exploration of alkaline-earth metal Sn(ii) oxides for potential applications requiring good p-type conductivity such as transparent conductors and photovoltaic absorbers. [ABSTRACT FROM AUTHOR]

Outstanding hydrogen evolution reaction (HER) activity and stability are highly desired for transition metal dichalcogenide (TMD)-based catalysts as Pt substitutes. Here, we theoretically calculated and experimentally showed that adsorbing Pd atoms on the basal plane of defect-rich (DR) MoS2 will effectively modulate the surface electronic state of MoS2 while retaining its active sites, which greatly enhanced the HER activity. Three decoration strategies were used to implement this design: direct epitaxial growth, assembling spherical nanoparticles and assembling Pd nanodisks (NDs). The results showed that only Pd NDs are able to be site-specifically decorated on the basal plane of DR-MoS2 through lamellar-counterpart-induced van der Waals pre-combination and covalent bonding. This Pd ND/DR-MoS2 heterostructure exhibits exceptional Pt-similar HER properties with a low onset-overpotential (40 mV), small Tafel slope (41 mV dec−1), extremely high exchange current density (426.58 μA cm−2) and robust HER durability. These results demonstrate a novel modification strategy by a lamellar metallic nanostructure for designing excellent layered TMD-based HER catalysts. [ABSTRACT FROM AUTHOR]

The structural and electronic properties of zigzag MoS2 nanoribbons are investigated using first-principles density functional theory. Our models are motivated by the experimental observations, in which both Mo edges are terminated by S atoms. Our calculations show that the edge can introduce some extra states into the energy gap, which lead nanoribbons to exhibit a metallic characteristic. Such extra states around the Fermi level are flat or dispersed. Through detailed analyses, we identify and discriminate them based on the major contributors. By applying an external transverse electric field, Eext the extra states around the Fermi level can shift apparently, especially for those attributed to Mo-edge atoms. It can be explained by the charge redistribution in the MoS2 nanoribbons due to Eext. In addition, the nanoribbon can be changed from metal to an n/p-type semiconductor according to different edge hydrogenation. After full edge hydrogenation, we observe a characteristic of anti-bonding orbitals between H and S atoms at the Mo-edge. Interestingly, the energy of anti-bonding orbitals and electric conductivity of nanoribbons can be tailored by Eext. The results suggest a strategy controlling the performance of MoS2 for hydrogen evolution. [ABSTRACT FROM AUTHOR]

It is a big challenge to construct proton-conductive materials for practical applications operating at high temperatures and low humidity. Herein, we propose an ionothermal strategy for the preparation of highly stable NH2-MIL-53(Al)it nanomaterials with high proton conductivity. The crystalline structure and the direct incorporation of the 1-ethyl-3-methyl-imidazolium ionic liquid within NH2-MIL-53(Al)it are identified by XRD, TG/DTA and IR techniques. The as-prepared NH2-MIL-53(Al)it exhibits a high proton conductivity of 3.0 × 10−5 S cm−1 at 80 °C and low relative humidity of ∼26%. [ABSTRACT FROM AUTHOR]

Consistency between density function theory calculations and photoelectron spectroscopy observations confirmed predictions based on the framework of bond-band-barrier (3B) correlation notation [Sun, Prog. Mater. Sci., 2003, 48, 521–685] that an oxygen adsorbate interacts with Ti(0001) skin atoms to form a tetrahedron with creation of four valence density-of-state features: O–Ti bonding electron pairs, O nonbonding lone pairs, Ti electronic holes, and Ti antibonding dipoles. Formation of the dipoles lowers the work function of the Ti(0001) skin and electron–hole generation turns the metallic Ti(0001) into the semiconductive O–Ti(0001). Findings confirm the universality of the 3B correlation in understanding the dynamics of oxygen chemisorption and the associated valence electrons involved in the process of oxidation. [ABSTRACT FROM AUTHOR]

In this work, the systems are constructed with the defect lines of B–B or N–N dimers embedded in a graphene matrix using density functional theory. It is found that the Dirac-cone dispersions appear at the Fermi level in the bands introduced by the B or N heteroatom, linear B–B or N–N dimers, demonstrating that the carrier mobility is ∼106 m s−1 which is comparable with that of the pristine graphene. Most importantly, such dimer lines act as the quasi-1-D conducting nanowires whose charge carriers are confined around the linear defects in these dimers while the charge carriers in pristine graphene are dispersed two-dimensionally. Such systems suggest that heteroatoms in graphene can indeed contribute to the Dirac cone. In addition, the type of carriers (p-type or n-type) can be manipulated using the B or N heteroatoms, respectively. This will greatly enrich the electronic properties of Dirac semimetals. [ABSTRACT FROM AUTHOR]

The Mpemba paradox, that is, hotter water freezes faster than colder water, has baffled thinkers like Francis Bacon, René Descartes, and Aristotle since B.C. 350. However, a commonly accepted understanding or theoretical reproduction of this effect remains challenging. Numerical reproduction of observations, shown herewith, confirms that water skin supersolidity [Zhang et al., Phys. Chem. Chem. Phys., DOI: URL10.1039/C1034CP02516D/URL] enhances the local thermal diffusivity favoring heat flowing outwardly in the liquid path. Analysis of experimental database reveals that the hydrogen bond (O:H–O) possesses memory to emit energy at a rate depending on its initial storage. Unlike other usual materials that lengthen and soften all bonds when they absorb thermal energy, water performs abnormally under heating to lengthen the O:H nonbond and shorten the H–O covalent bond through inter-oxygen Coulomb coupling [Sun et al., J. Phys. Chem. Lett., 2013, 4, 3238]. Cooling does the opposite to release energy, like releasing a coupled pair of bungees, at a rate of history dependence. Being sensitive to the source volume, skin radiation, and the drain temperature, the Mpemba effect proceeds only in the strictly non-adiabatic ‘source–path–drain’ cycling system for the heat “emission–conduction–dissipation” dynamics with a relaxation time that drops exponentially with the rise of the initial temperature of the liquid source. [ABSTRACT FROM AUTHOR]

Consistency in experimental observations, numerical calculations, and theoretical predictions have revealed that the skins of water and ice share the same attribute of supersolidity characterized by an identical H–O vibration frequency of 3450 cm−1. Molecular undercoordination and inter-electron-pair repulsion shortens the H–O bond and lengthens the O:H nonbond, leading to a dual process of nonbonding electron polarization. This relaxation–polarization process enhances the dipole moment, elasticity, viscosity, and thermal stability of these skins with a 25% density loss, which is responsible for the hydrophobicity and toughness of the water skin and results in the slippery behavior of ice. [ABSTRACT FROM AUTHOR]

The stability is one of the key requirements for commercializing the fuel cell electrocatalysts in automotive applications. For the widely used Pt-based catalysts, it can be achieved by the formation of a stable Pt skin on the surface. Here, we employed density functional theory (DFT) to explore the stability of monolayer Pt (PtML) on various near surface alloy (NSAs) surfaces, PtML/MML/Pt(111) (M = Fe, Co, Ni, Cu; Ru, Rh, Pd, Ag; Os, Ir, Au), under various environmental conditions. Our results show that under the vacuum condition, the alloying M except Ag and Au thermodynamically prefer to stay in the subsurface and the formation of PtML on the surface is thermodynamically favored. A barrier has to be overcome for M to segregate. The situation varies under various electrochemical conditions. Depending on the solutions and the operating reaction pathway, different M should be considered for alloying with Pt to maintain the stability of surface PtML. PtRh and PtPd are the only two systems, where the surface PtML is likely to stay intact in perchloric acid (HClO4), sulfuric acid (H2SO4), phosphoric acid (H3PO4) and alkaline solutions as well as under the oxygen reduction reaction (ORR) conditions via different pathways. PtIr should also be paid attention, which falls only during the ORR via the OOH intermediate. Our results highlight the importance of chemical environments in affecting the stability of the catalysts. [ABSTRACT FROM AUTHOR]

The electrochemical decomposition of water plays a critical role in green and sustainable energy. However, the development of efficient and low-cost non-noble metal catalysts to overcome the high potential of the anodic oxygen evolution reaction (OER) is still challenging. In this work, electrocatalysts with high OER activity were obtained by doping Co/Fe bimetals into Ni 3 S 2 (CF-NS) via a simple single-step hydrothermal method by adjusting the doping ratio of bimetals. A series of characterization studies revealed that the introduction of a Co/Fe co-dopant increased the number of active sites and improved the electroconductibility, while optimizing the electronic structure of Ni 3 S 2 . Meanwhile, Fe-induced high valence Ni contributed to the production of an OER active phase NiOOH. The unique dendritic crystal morphology facilitated the disclosure of the active sites and the expansion of mass transfer channels. The optimized sample required a low overpotential of 146 mV to obtain a current density of 10 mA cm -2 in 1.0 M KOH solution. The optimized sample also operated stably for at least 86 h. In sum, the proposed method looks very promising for designing efficient, stable, and low-cost non-precious metal catalysts with high conductivity and multiple active sites, useful for future synthesis of transition metal sulfide catalysts.

Multi-drug combinations are a common strategy for the treatment of intracellular bacterial infections. However, different internalized pathways and the accumulation of the composite drugs at different subcellular organelles very much reduce their efficacy. Herein, an intracellular synergistic strategy is proposed, which is realized by on-site delivery of a drug combination using a macrophage/intracellular bacterium-dual targeted drug delivery system (DDS). The DDS is fabricated by encapsulating vancomycin (Van) and curcumin (Cur) into poly(α- N -acryloyl-phenylalanine)- block -poly(β- N -acryloyl-D-aminoalanine- co -2- O -acetyl-α-D-mannosyloxy) nanoparticles, denoted by (Van + Cur)@F(AM) NPs. Mannose ligands on (Van + Cur)@F(AM) NPs trigger their specific internalization in macrophages, while aminoalanine moieties subsequently drive the NPs to target intracellular methicillin-resistant Staphylococcus aureus (MRSA). Thereafter, Van and Cur are durably released in a synergistic dose at the residence site of intracellular MRSA. Under this intracellular synergistic effect, (Van + Cur)@F(AM) NPs show superior elimination efficiency in vitro and in vivo compared to the control groups, including free Van, (Van + Cur), the DDS encapsulated Van and the DDSs separately-encapsulated Van and Cur. Furthermore, (Van + Cur)@F(AM) NPs significantly enhance the in vivo antibacterial capacity by modulating the immune response. Therefore, this dual-targeted DDS-assisted intracellular synergistic antibacterial strategy of drug combination is an effective therapeutic against intracellular bacteria.

Formation of a non-emissive wide bandgap CsPb 2 Br 5 component often accompanies the synthesis of CsPbBr 3 perovskites, introducing undesired energy states and impeding the charge transport. Here, we demonstrate that a small amount of a methanol additive can promote the CsBr release rate, facilitating CsPbBr 3 formation and suppressing CsPb 2 Br 5 formation. Some of the methanol ionizes into CH 5 O + and CH 3 O - , which act as surface ligands and change the crystallization environment, inducing shape evolution from spherical nanocrystals to rectangular nanoplatelets (NPLs), leading to monodispersed and phase-pure 8 unit-cell-thick CsPbBr 3 NPLs. Meanwhile, nonradiative recombination processes are inhibited as a result of NPL surface passivation. Bright CsPbBr 3 NPLs with a photoluminescence quantum yield reaching 90% were employed as emitters for electroluminescent light-emitting devices., Competing Interests: There are no conflicts to declare., (This journal is © The Royal Society of Chemistry.)

A ∼200 K superconducting phase in dense hydrogen sulfide is an important milestone for the development of novel superconductors with high critical temperature. Here, we systematically studied the effect of uniaxial strain on the electronic and superconducting properties in dense H 3 S using density functional calculations. Our theoretical results show that inducing strain is an effective tool to control the electronic Fermi surface topology, logarithmic average frequency, and electron-phonon coupling parameter of dense H 3 S. Thus, uniaxial strain induces sensitive and considerable changes in superconducting critical temperature, which stem from the energy-level shifts and softening lattice vibrations.

Photoelectrochemical (PEC) water splitting offers a promising chance for energy generation on a global scale. TiO 2 is a widely used photoanode material due to its superior properties and stability. However, the PEC efficiency of TiO 2 is usually impeded by the fast recombination of photo-generated electron/hole pairs and the poor charge transfer ability that could be improved by band alignment and imperfection passivation, respectively. Herein, we first report that ZIF-8 is an efficient imperfection passivating layer which acts as a bifunctional cocatalyst for transferring/separating electron/hole pairs for improving the photo/photoelectrochemical performance. This work provides a new insight to investigate the charge interaction mechanism between the interface of TiO 2 and ZIF-8.