Hierarchical PtCuMnP Nanoalloy for Efficient Hydrogen Evolution and Methanol Oxidation.

The higher amount of Pt usage and its poisoning in methanol oxidation reaction in acidic media is a major setback for methanol fuel cells. Herein, a promising dual application high-performance electrocatalyst has been developed for hydrogen evolution and methanol oxidation. A low Pt-content nanoalloy co-doped with Cu, Mn, and P is synthesized using a modified solvothermal process. Initially, ultrasmall ≈2.9 nm PtCuMnP nanoalloy is prepared on N-doped graphene-oxide support and subsequently, it is characterized using several analytical techniques and examined through electrochemical tests. Electrochemical results show that PtCuMnP/N-rGO has a low overpotential of 6.5 mV at 10 mA cm-2 in 0.3 m H2 SO4 and high mass activity for the hydrogen evolution reaction. For the methanol oxidation reaction, the PtCuMnP/N-rGO electrocatalyst exhibits robust performance. The mass activity of PtCuMnP/N-rGO is 6.790 mA mg-1 Pt , which is 7.43 times higher than that of commercial Pt/C (20% Pt). Moreover, in the chronoamperometry test, PtCuMnP/N-rGO shows exceptionally good stability and retains 72% of the initial current density even after 20,000 cycles. Furthermore, the PtCuMnP/N-rGO electrocatalyst exhibits outstanding performance for hydrogen evolution and methanol oxidation along with excellent anti-poisoning ability. Hence, the developed bifunctional electrocatalyst can be used efficiently for hydrogen evolution and methanol oxidation.

High Entropy Pr-Doped Hollow NiFeP Nanoflowers Inlaid on N-rGO for Efficient and Durable Electrodes for Lithium-Ion Batteries and Direct Borohydride Fuel Cells.

The selection and design of new electrode materials for energy conversion and storage are critical for improved performance, cost reduction, and mass manufacturing. A bifunctional anode with high catalytic activity and extended cycle stability is crucial for rechargeable lithium-ion batteries and direct borohydride fuel cells. Herein, a high entropy novel three-dimensional structured electrode with Pr-doped hollow NiFeP nanoflowers inlaid on N-rGO was prepared via a simple hydrothermal and self-assembly process. For optimization of Pr content, three (0.1, 0.5, and 0.8) different doping ratios were investigated. A lithium-ion battery assembled with NiPr0.5 FeP/N-rGO electrode achieved an outstanding specific capacity of 1.61 Ah g-1 at 0.2 A g-1 after 100 cycles with 99.3 % Coulombic efficiencies. A prolonged cycling stability of 1.02 Ah g-1 was maintained even after 1000 cycles at 0.5 A g-1 . In addition, a full cell battery with NiPr0.5 FeP/N-rGO∥LCO (Lithium cobalt oxide) delivered a promising cycling performance of 0.52 Ah g-1 after 200 cycles at 0.15 A g-1 . Subsequently, the NiPr0.5 FeP/N-rGO electrode in a direct borohydride fuel cell showed the highest peak power density of 93.70 mW cm-2 at 60 °C. Therefore, this work can be extended to develop advanced electrode for next-generation energy storage and conversion systems.

Hydrogen storage capacity of Be2 (NLi)2 cluster with ultra-short beryllium-beryllium distance.

Quantum chemical calculations have been carried out to investigate the hydrogen storage capacity of Be2 (NLi)2 cluster. Calculations reveal that the cluster can take up to eight H2 molecules reaching a maximum gravimetric density of 21.04 wt%. Six H2 molecules bind at the Li atoms and two H2 bind at the Be atoms with moderate binding energy which is required for reversible storage of H2 . Symmetry-adapted perturbation analysis reveals the significant contribution of electrostatic and induction and very minor contribution of dispersion toward the total interaction energy. Molecular dynamics simulations reveal that the H2 molecules are strongly bound at 77 K and get slowly released at elevated temperatures.

Evaluation of Ag@TiO2/WO3 heterojunction photocatalyst for enhanced photocatalytic activity towards methylene blue degradation.

Methylene blue is a dye that is extensively used in the textile industry but it is a hazardous, carcinogenic, and mutagenic pollutant. Therefore, the treatment of wastewater containing methylene blue by photocatalytic degradation under visible light without using any sacrificial agent (H2O2) is an important method towards attaining an eco-friendly environment. Herein, the nanocomposite of Ag-doped TiO2 on WO3 nanoparticles (Ag@TiO2/WO3) was prepared by a modified sol-gel precipitation route, and their physicochemical properties were studied. The bandgap of Ag sensitized metal oxide nanocomposite in Ag@TiO2/WO3 was slightly reduced compared to the pristine titania due to the creation of interstitial energy states during colligation of titania and tungsten oxide. The ease of charge carrier transfers through the heterojunction of TiO2/WO3 increased the photocatalytic activity of the photocatalyst. Furthermore, in Ag@TiO2/WO3 the plasmonic Ag sensitization to the host semiconductor TiO2 has further boosted the rate of photocatalytic degradation because of the surface plasmon resonance (SPR) and hindrance of charge carrier recombination. Due to the synergistic effect of SPR and the presence of heterojunction in Ag@TiO2/WO3, the photocatalytic activity was found to be 25 times higher for Ag@TiO2/WO3 than that of commercial DP25 photocatalyst under visible light towards methylene blue degradation.