The reaction of triplet fusion,also named triplet-triplet annihilation,has attracted a lot of research interests because of its wide applications in photocatalytic,solar cells,and bioimaging.As for the singlet oxygen ...The reaction of triplet fusion,also named triplet-triplet annihilation,has attracted a lot of research interests because of its wide applications in photocatalytic,solar cells,and bioimaging.As for the singlet oxygen photosensitization,the reactive singlet oxygen species are generated through the energy transfers from photosensitizer(PS)to ground triplet oxygen molecule.In this work,we computed the electronic coupling for singlet oxygen photosensitization using the nonadiabatic coupling from the quantum chemical calculation.Then we utilized the molecular orbital(MO)overlaps to approximate it,where the MOs were computed from isolated single molecules.As demonstrated with quantitative results,this approach well describes the distribution of the coupling strength as the function of the intermolecular distance between the sensitizer and O_(2),providing us a simple but effective way to predict the coupling of triplet fusion reactions.展开更多
The system of electrons on liquid helium is an interesting candidate to implement quantum computation, due to the long coherence times of the qubits encoded by the electronic spins. In order to implement the quantum l...The system of electrons on liquid helium is an interesting candidate to implement quantum computation, due to the long coherence times of the qubits encoded by the electronic spins. In order to implement the quantum logic operations between the spins, we propose here a configuration, similarly to the cooled ions in a trap, to couple the distant electrons via manipulating their center of mass （CM） vibrations. First, we show that the electrons could be confined in a common harmonic oscillator potential by using an electrostatic field. Then, with a single current pulse （applied on the micro-electrode below the liquid helium） the distant electronic spins can be coupled simultaneously to the CM mode. Finally, by adiabatically eliminating the CM mode, effective interaction between the distant spins is induced for implementing the desired quantum computing.展开更多
基金the supports from the Chinese Academy of Sciences(CAS)Institute of Chemistry,CAS+3 种基金the supports from the National Natural Science Foundation of China(No.21933011)the Beijing Municipal Science&Technology Commission(No.Z191100007219009)the K.C.Wong Education Foundationthe support from the National Natural Science Foundation of China(No.21773073)。
文摘The reaction of triplet fusion,also named triplet-triplet annihilation,has attracted a lot of research interests because of its wide applications in photocatalytic,solar cells,and bioimaging.As for the singlet oxygen photosensitization,the reactive singlet oxygen species are generated through the energy transfers from photosensitizer(PS)to ground triplet oxygen molecule.In this work,we computed the electronic coupling for singlet oxygen photosensitization using the nonadiabatic coupling from the quantum chemical calculation.Then we utilized the molecular orbital(MO)overlaps to approximate it,where the MOs were computed from isolated single molecules.As demonstrated with quantitative results,this approach well describes the distribution of the coupling strength as the function of the intermolecular distance between the sensitizer and O_(2),providing us a simple but effective way to predict the coupling of triplet fusion reactions.
基金Supported by the National Natural Science Foundation of China under Grant Nos.11204249,11174373the National Fundamental Research Program of China under Grant No.2010CB923104
文摘The system of electrons on liquid helium is an interesting candidate to implement quantum computation, due to the long coherence times of the qubits encoded by the electronic spins. In order to implement the quantum logic operations between the spins, we propose here a configuration, similarly to the cooled ions in a trap, to couple the distant electrons via manipulating their center of mass （CM） vibrations. First, we show that the electrons could be confined in a common harmonic oscillator potential by using an electrostatic field. Then, with a single current pulse （applied on the micro-electrode below the liquid helium） the distant electronic spins can be coupled simultaneously to the CM mode. Finally, by adiabatically eliminating the CM mode, effective interaction between the distant spins is induced for implementing the desired quantum computing.
