Stability and melting behavior of boron phosphide under high pressure

Boron phosphide(BP)has gained significant research attention due to its unique photoelectric and mechanical properties.In this work,we investigated the stability of BP under high pressure using x-ray diffraction and scanning electron microscope.The phase diagram of BP was explored in both B-rich and P-rich environments,revealing crucial insight into its behavior at 5.0 GPa.Additionally,we measured the melting curve of BP from 8.0 GPa to 15.0 GPa.Our findings indicate that the stability of BP under high pressure is improved within B-rich and P-rich environments.Furthermore,we report a remarkable observation of melting curve frustration at 10.0 GPa.This study will enhance our understanding of stability of BP under high pressure,shedding light on its potential application in semiconductor,thermal,and light-transmitting devices.

Isotherm,kinetic and thermodynamic investigations of boron phosphide to remove methylene blue from aqueous solution

In this work,the boron phosphide(BP)was synthesized and used for the adsorptive removal of methylene blue(MB)dye from aqueous solutions.To determine the optimum adsorption conditions,studies were performed by varying parameters of temperature(298–328 K),pH(2–12),contact time(0–120 min),adsorbent dose(0.01–0.20 g/50 mL),and dye concentration(10–50 mg/L).Different isotherm and kinetic models were applied to the adsorption data.The linear correlations coefficient showed that the Langmuir isotherm best fits(R^(2)=0.9996).The maximum adsorption capacity of BP was obtained as 555.56 mg/g at 55℃and the removal rate reached up to 84.11%.Additionally,the pseudo-second-order kinetic model described the adsorption process best(R^(2)=0.9998).The thermodynamic studies represented that the adsorption occurred spontaneously(ΔG_(A)^(Θ)=−24.90 kJ/mol)and endothermically(ΔH_(A)^(Θ)=16.67 kJ/mol).The results showed that BP is an efficient adsorbent for removing cationic dyes from aqueous solutions.

Computational Design of Single Mo Atom Anchored Defective Boron Phosphide Monolayer as a High-performance Electrocatalyst for the Nitrogen Reduction Reaction

Catalytic reduction of molecular dinitrogen(N_(2))to ammonia(NH_(3))is one of the most important and challenging industrial reactions.Electrochemical reduction is considered as an energy-saving technology for artificial ambient nitrogen fixation,which is emerging as an optimal potential sustainable strategy to substitute for the Haber–Bosch process.However,this process demands efficient catalysts for the N_(2)reduction reaction(NRR).Here,by means of first-principles calculations,we systematically explored the potential electrocatalytic performance of single transition metal atoms(Pd,Ag,Rh,Cu,Ti,Mo,Mn,Zn,Fe,Co,Ru,and Pt)embedded in monolayer defective boron phosphide(TMs/BP)monolayer with a phosphorus monovacancy for ambient NH_(3)production.Among them,the Mo/BP exhibits the best catalytic performance for ambient reduction of N_(2)through the typical enzymatic and consecutive reaction pathways with an activation barrier of 0.68 e V,indicating that Mo/BP is an efficient catalyst for N_(2)fixation.We believe that this work could provide a new avenue of ambient NH_(3)synthesis by using the designed single-atom electrocatalysts.