Heterogeneous solid frustrated-Lewis-pair(FLP)catalyst is of great promise in practical hydrogenation applications.It has been found that all-solid FLPs can be created on ceria via surface oxygen vacancy regulation.Co...Heterogeneous solid frustrated-Lewis-pair(FLP)catalyst is of great promise in practical hydrogenation applications.It has been found that all-solid FLPs can be created on ceria via surface oxygen vacancy regulation.Consequently,it is desired to investigate the mechanisms of the FLP-catalyzed hydrogenation of C=C and C=O and provide insight into the modification of CeO_(2)catalysts for the selective hydrogenation.In this work,the reaction mechanism of the hydrogenation of CH_(2)=CH_(2)and CH_(3)CH=O at the FLP sites constructed on CeO_(2)(110)surface was investigated by density functional theory(DFT),with the classical Lewis acid-base pairs(CLP)site as the reference.The results illustrate that at the CLP site,the dissociated hydride(H^(δ−))forms a stable H−O bond with the surface O atom,while at the FLP site,H^(δ−)is stabilized by Ce,displaying higher activity on the one hand.On the other hand,the electron cloud density of the Ce atom at the FLP site is higher,which can transfer more electrons to the adsorbed C_(C=C)and O_(C=O)atoms,leading to a higher degree of activation for C=C and C=O bonds,as indicated by the Bader charge analysis.Therefore,compared to the CLP site,the FLP site exhibits higher hydrogenation activity for CH_(2)=CH_(2)and CH_(3)CH=O.Furthermore,at the FLP sites,it demonstrates high efficiency in catalyzing the hydrogenation of CH_(2)=CH_(2)with the rate-determining barrier of 1.04 eV,but it shows limited activity for the hydrogenation of CH_(3)CH=O with the rate-determining barrier of 1.94 eV.It means that the selective hydrogenation of C=C can be effectively achieved at the FLP sites concerning selective hydrogenation catalysis.The insights shown in this work help to clarify the reaction mechanism of the hydrogenation of C=C and C=O at FLP site on CeO_(2)(110)and reveal the relationship between the catalytic performance and the nature of the active site,which is of great benefit to development of rational design of heterogeneous FLP catalysts.展开更多
The near crack line analysis method was used to investigate a crack loaded by two pairs of point shear forces in an infinite plate in an elastic-perfectly plastic solid, and the analytical solution was obtained. The s...The near crack line analysis method was used to investigate a crack loaded by two pairs of point shear forces in an infinite plate in an elastic-perfectly plastic solid, and the analytical solution was obtained. The solutions include: the unit normal vector of the elastic-plastic boundary near the crack line, the elastic-plastic stress fields near crack line, law that the length of the plastic zone along the crack line is varied with an external loads, and the bearing capacity of an infinite plate with a center crack loaded by two pairs of point shear forces. The results are sufficiently precise near the crack line because the assumptions of the small scale yielding theory have not been made and no other assumption have been taken.展开更多
The iron rhenate was compounded by chemical method, whichmay be generated during wear process of FeRe alloys at elevated temperature. The friction coefficient of iron rhenate has been determined by a pinondisc device....The iron rhenate was compounded by chemical method, whichmay be generated during wear process of FeRe alloys at elevated temperature. The friction coefficient of iron rhenate has been determined by a pinondisc device. The results show that iron rhenate plays role of lubricating at RT600 ℃. The lubricating behavior is related to the matching pairs. The hardness of the materials of matching pairs, compatibility of iron rhenate with materials of matching pairs and surface roughness of disc affect the lubricating behavior of iron rhenate mostly. The principle of matching pairs is proposed.展开更多
The concept of the binary sequence pair is generalized from a single binary sequence. Binary sequence pairs are applied in many fields of radar, sonar or communication systems, in which signals with optimal periodic c...The concept of the binary sequence pair is generalized from a single binary sequence. Binary sequence pairs are applied in many fields of radar, sonar or communication systems, in which signals with optimal periodic correlation are required. Several types of almost perfect binary sequence pairs of length T = 2q are constructed, where q is an odd number. These almost perfect binary sequence pairs are based on binary ideal sequence or binary ideal two-level correlation sequence pairs by using Chinese remainder theorem. For these almost perfect binary sequence pairs with good balanced property, their corresponding divisible difference set pairs(DDSPs) are also derived.展开更多
Quantum key distribution （QKD） is used in quantum cryptographic systems to exchange secret key between parties who need to communicate secretly. According to the structure of European Secoqc QKD network, a QKD proto...Quantum key distribution （QKD） is used in quantum cryptographic systems to exchange secret key between parties who need to communicate secretly. According to the structure of European Secoqc QKD network, a QKD protocol is proposed. Entanglement swapping between Einstein-Podolsky-Rosen （EPR） pairs can be used to exchange message bits in two remote places. Based on this idea, n ＋ 1 EPR pairs are used as logical quan- tum channel （for n nodes per routing）, while measurements of Bell operator are transmitted by classical channel. Random space quantum channel selection is exploited in our protocol to improve the probability of revealing Eve. Compared with traditional EPR protocol, the proposed protocol exhibits many features, which are minutely described.展开更多
基金supported by the National Natural Science Foundation of China(22302115,22072079)the Fundamental Research Program of Shanxi Province(202303021221056).
文摘Heterogeneous solid frustrated-Lewis-pair(FLP)catalyst is of great promise in practical hydrogenation applications.It has been found that all-solid FLPs can be created on ceria via surface oxygen vacancy regulation.Consequently,it is desired to investigate the mechanisms of the FLP-catalyzed hydrogenation of C=C and C=O and provide insight into the modification of CeO_(2)catalysts for the selective hydrogenation.In this work,the reaction mechanism of the hydrogenation of CH_(2)=CH_(2)and CH_(3)CH=O at the FLP sites constructed on CeO_(2)(110)surface was investigated by density functional theory(DFT),with the classical Lewis acid-base pairs(CLP)site as the reference.The results illustrate that at the CLP site,the dissociated hydride(H^(δ−))forms a stable H−O bond with the surface O atom,while at the FLP site,H^(δ−)is stabilized by Ce,displaying higher activity on the one hand.On the other hand,the electron cloud density of the Ce atom at the FLP site is higher,which can transfer more electrons to the adsorbed C_(C=C)and O_(C=O)atoms,leading to a higher degree of activation for C=C and C=O bonds,as indicated by the Bader charge analysis.Therefore,compared to the CLP site,the FLP site exhibits higher hydrogenation activity for CH_(2)=CH_(2)and CH_(3)CH=O.Furthermore,at the FLP sites,it demonstrates high efficiency in catalyzing the hydrogenation of CH_(2)=CH_(2)with the rate-determining barrier of 1.04 eV,but it shows limited activity for the hydrogenation of CH_(3)CH=O with the rate-determining barrier of 1.94 eV.It means that the selective hydrogenation of C=C can be effectively achieved at the FLP sites concerning selective hydrogenation catalysis.The insights shown in this work help to clarify the reaction mechanism of the hydrogenation of C=C and C=O at FLP site on CeO_(2)(110)and reveal the relationship between the catalytic performance and the nature of the active site,which is of great benefit to development of rational design of heterogeneous FLP catalysts.
文摘The near crack line analysis method was used to investigate a crack loaded by two pairs of point shear forces in an infinite plate in an elastic-perfectly plastic solid, and the analytical solution was obtained. The solutions include: the unit normal vector of the elastic-plastic boundary near the crack line, the elastic-plastic stress fields near crack line, law that the length of the plastic zone along the crack line is varied with an external loads, and the bearing capacity of an infinite plate with a center crack loaded by two pairs of point shear forces. The results are sufficiently precise near the crack line because the assumptions of the small scale yielding theory have not been made and no other assumption have been taken.
基金the NationalNatural+3 种基金 Science Foundation of China
文摘The iron rhenate was compounded by chemical method, whichmay be generated during wear process of FeRe alloys at elevated temperature. The friction coefficient of iron rhenate has been determined by a pinondisc device. The results show that iron rhenate plays role of lubricating at RT600 ℃. The lubricating behavior is related to the matching pairs. The hardness of the materials of matching pairs, compatibility of iron rhenate with materials of matching pairs and surface roughness of disc affect the lubricating behavior of iron rhenate mostly. The principle of matching pairs is proposed.
基金supported by the National Natural Science Foundation of China(6160140161501395+6 种基金6160139961671402)Natural Science Foundation of Hebei Province(F2015203150F2016203293F2016203312)Natural Science Research Programs of Hebei Educational Committee(QN2016120)the Independent Research Programs for Young Teachers of Yanshan University(15LGB013)
文摘The concept of the binary sequence pair is generalized from a single binary sequence. Binary sequence pairs are applied in many fields of radar, sonar or communication systems, in which signals with optimal periodic correlation are required. Several types of almost perfect binary sequence pairs of length T = 2q are constructed, where q is an odd number. These almost perfect binary sequence pairs are based on binary ideal sequence or binary ideal two-level correlation sequence pairs by using Chinese remainder theorem. For these almost perfect binary sequence pairs with good balanced property, their corresponding divisible difference set pairs(DDSPs) are also derived.
文摘Quantum key distribution （QKD） is used in quantum cryptographic systems to exchange secret key between parties who need to communicate secretly. According to the structure of European Secoqc QKD network, a QKD protocol is proposed. Entanglement swapping between Einstein-Podolsky-Rosen （EPR） pairs can be used to exchange message bits in two remote places. Based on this idea, n ＋ 1 EPR pairs are used as logical quan- tum channel （for n nodes per routing）, while measurements of Bell operator are transmitted by classical channel. Random space quantum channel selection is exploited in our protocol to improve the probability of revealing Eve. Compared with traditional EPR protocol, the proposed protocol exhibits many features, which are minutely described.
