A novel triphenylphosphine-contained poly(ether ether ketone ketone) was synthesized from bis[4-(p-fluorobenzoyl)-phenyl]phenylphosphine oxide and hydroquinone by nucleophilic copolycondensation with sulfolane as the ...A novel triphenylphosphine-contained poly(ether ether ketone ketone) was synthesized from bis[4-(p-fluorobenzoyl)-phenyl]phenylphosphine oxide and hydroquinone by nucleophilic copolycondensation with sulfolane as the solvent. The structure was confirmed via FTIR, 31P NMR and 1H NMR. Electrical property, mechanical property, heat-resistance property, flame resistance and solubility were also evaluated. The results show that the polymer has an excellent heat-resistance, the glass transition temperature(Tg) is 212.6 ℃. The 5% mass loss of the polymer in nitrogen atmosphere took place at 476 ℃. The polymer is soluble in many organic solvents, such as CH2Cl2, CHCl3, Cl2(CH)2Cl2, Cl(CH2)2Cl, DMF, and NMP at room temperature, the polymer possesses well film ability, good mechanics property, electrical property, and the LOI is 44 which indicates that it possesses an excellent flame retardancy.展开更多
In the present work,a stable two-dimensional(2D)P_(2)Si monolayer was predicted.The monolayer is semimetallic/metallic under the PBE/HSE06 functional and is mechanically isotropic.The stability of the P_(2)Si monolaye...In the present work,a stable two-dimensional(2D)P_(2)Si monolayer was predicted.The monolayer is semimetallic/metallic under the PBE/HSE06 functional and is mechanically isotropic.The stability of the P_(2)Si monolayer has been proved via cohesive energy,mechanical criteria,molecular dynamics simulation,and phonon dispersion respectively,and the monolayer possesses high carrier mobility which is three times that of Mo S_(2).On the other hand,the catalytic performance of the P_(2)Si monolayer modified with a single transition metals(M=Sc-Cu)atom for the electrochemical reduction of CO_(2)was investigated,and the monolayer can catalyze CO_(2)with three constraints:stable molecular dynamics,high migration potential of metal atoms,and suitable band gap for electrocatalyst after metal doping exhibiting excellent catalytic stabilization activity and CRR selectivity.In addition,the reduction product of V@P_(2)Si is HCOOH with an overpotential as low as 0.75 V,and the most suitable reaction path is^(*)CO_(2)→^(*)CHOO→O^(*)CHOH→^(*)+HCOOH with the final reduction product HCOOH obtained.As a whole,the above results endow the P_(2)Si monolayer to be a good 2D material holding great promises for applications in nanoelectronics and CO_(2)reduction catalysts.展开更多
文摘A novel triphenylphosphine-contained poly(ether ether ketone ketone) was synthesized from bis[4-(p-fluorobenzoyl)-phenyl]phenylphosphine oxide and hydroquinone by nucleophilic copolycondensation with sulfolane as the solvent. The structure was confirmed via FTIR, 31P NMR and 1H NMR. Electrical property, mechanical property, heat-resistance property, flame resistance and solubility were also evaluated. The results show that the polymer has an excellent heat-resistance, the glass transition temperature(Tg) is 212.6 ℃. The 5% mass loss of the polymer in nitrogen atmosphere took place at 476 ℃. The polymer is soluble in many organic solvents, such as CH2Cl2, CHCl3, Cl2(CH)2Cl2, Cl(CH2)2Cl, DMF, and NMP at room temperature, the polymer possesses well film ability, good mechanics property, electrical property, and the LOI is 44 which indicates that it possesses an excellent flame retardancy.
基金funded by the Natural Science Foundation of China(Nos.21603109,11304128)the Henan Joint Fund of the National Natural Science Foundation of China(No.U1404216)+1 种基金the Science and Technology Program of Henan Department of Science and Technology,China(No.182102310609)the Construct Program of Applied Characteristic Discipline in Hunan University of Science and Engineering(Mathematics,Education and Electronic Science and Technology)。
文摘In the present work,a stable two-dimensional(2D)P_(2)Si monolayer was predicted.The monolayer is semimetallic/metallic under the PBE/HSE06 functional and is mechanically isotropic.The stability of the P_(2)Si monolayer has been proved via cohesive energy,mechanical criteria,molecular dynamics simulation,and phonon dispersion respectively,and the monolayer possesses high carrier mobility which is three times that of Mo S_(2).On the other hand,the catalytic performance of the P_(2)Si monolayer modified with a single transition metals(M=Sc-Cu)atom for the electrochemical reduction of CO_(2)was investigated,and the monolayer can catalyze CO_(2)with three constraints:stable molecular dynamics,high migration potential of metal atoms,and suitable band gap for electrocatalyst after metal doping exhibiting excellent catalytic stabilization activity and CRR selectivity.In addition,the reduction product of V@P_(2)Si is HCOOH with an overpotential as low as 0.75 V,and the most suitable reaction path is^(*)CO_(2)→^(*)CHOO→O^(*)CHOH→^(*)+HCOOH with the final reduction product HCOOH obtained.As a whole,the above results endow the P_(2)Si monolayer to be a good 2D material holding great promises for applications in nanoelectronics and CO_(2)reduction catalysts.
