Logic gates are fundamental structural components in all modern digital electronic devices. Here, nonequilibrium Green's functions are incorporated with the density functional theory to verify the thermal spin tra...Logic gates are fundamental structural components in all modern digital electronic devices. Here, nonequilibrium Green's functions are incorporated with the density functional theory to verify the thermal spin transport features of the single-molecule spintronic devices constructed by a single molecule in series or parallel connected with graphene nanoribbons electrodes. Our calculations demonstrate that the electric field can manipulate the spin-polarized current. Then, a complete set of thermal spin molecular logic gates are proposed, including AND, OR, and NOT gates. The mentioned logic gates enable different designs of complex thermal spin molecular logic functions and facilitate the electric field control of thermal spin molecular devices.展开更多
Based on the density functional theory combined with the nonequilibrium Green function methodology,we have studied the thermally-driven spin-dependent transport properties of a combinational molecular junction consist...Based on the density functional theory combined with the nonequilibrium Green function methodology,we have studied the thermally-driven spin-dependent transport properties of a combinational molecular junction consisting of a planar four-coordinate Fe molecule and a 15,16-dinitrile dihydropyrene/cyclophanediene molecule,with single-walled carbon nanotube bridge and electrode.Our results show that the magnetic field and light can effectively regulate the thermallydriven spin-dependent currents.Perfect thermal spin-filtering effect and good thermal switching effect are realized.The results are explained by the Fermi-Dirac distribution function,the spin-resolved transmission spectra,the spatial distribution of molecular projected self-consistent Hamiltonian orbitals,and the spin-resolved current spectra.On the basis of these thermally-driven spin-dependent transport properties,we have further designed three basic thermal spin molecular AND,OR,and NOT gates.展开更多
The idea of replacing traditional silicon-based electronic components with the ones assembled by organic molecules to further scale down the electric circuits has been attracting extensive research focuses.Among the m...The idea of replacing traditional silicon-based electronic components with the ones assembled by organic molecules to further scale down the electric circuits has been attracting extensive research focuses.Among the molecularly assembled components,the design of molecular logic gates with simple structure and high Boolean computing speed remains a great challenge.Here,by using the state-of-the-art nonequilibrium Green’s function theory in conjugation with first-principles method,the spin transport properties of single-molecule junctions comprised of two serially connected transition metal dibenzotetraaza[14]annulenes(TM(DBTAA),TM=Fe,Co)sandwiched between two single-walled carbon nanotube electrodes are theoretically investigated.The numerical results show a close dependence of the spin-resolved current-voltage characteristics on spin configurations between the left and right molecular kernels and the kind of TM atom in TM(DBTAA)molecule.By taking advantage of spin degree of freedom of electrons,NOR or XNOR Boolean logic gates can be realized in Fe(DBTAA)and Co(DBTAA)junctions depending on the definitions of input and output signals.This work proposes a new kind of molecular logic gates and hence is helpful for further miniaturization of the electric circuits.展开更多
Designing molecular logic gates to operate programmably for molecular diagnostics in molecular computing still remains challenging.Here,we designed a novel linear DNA logic gates for microRNA analysis based on strand ...Designing molecular logic gates to operate programmably for molecular diagnostics in molecular computing still remains challenging.Here,we designed a novel linear DNA logic gates for microRNA analysis based on strand displacement and fluorescence resonance energy transfer（FRET）.Two labeled strands closed each other produce to FRET through hybridization with a complementary strand to form a basic work unit of logic gate.Two indicators of heart failure（microRNA-195 and microRNA-21） were selected as the logic inputs and the fluorescence mode was used as the logic output.We have demonstrated that the molecular logic gate mechanism worked well with the construction of YES and AND gates.展开更多
A bifunctional probe 1 with iminocoumarin scaffold demonstrated different responses for Cu2+and Hg2+.In fluorescence mode of probe 1,the intensity at 528 nm was quenched severely upon the addition of Cu2+or Hg2+.Meanw...A bifunctional probe 1 with iminocoumarin scaffold demonstrated different responses for Cu2+and Hg2+.In fluorescence mode of probe 1,the intensity at 528 nm was quenched severely upon the addition of Cu2+or Hg2+.Meanwhile,a new fluorescence band at 574 nm appeared in the case of Hg2+.In its UV-Vis absorption mode,significant hypochromic shift for Cu2+and bathochromic shift for Hg2+occurred,which are in agreement with the observation of distinct color changes.In addition,probe 1can be used for the construction of a molecular logic gate with NOR and INHIBIT logic functions.展开更多
Information security protection has become a fundamental issue in the human life,national security,and social stability,which is enabled through the use of multi-responsive materials.Ideal multi-responsive materials a...Information security protection has become a fundamental issue in the human life,national security,and social stability,which is enabled through the use of multi-responsive materials.Ideal multi-responsive materials are operated with visible to near infrared light,exhibit large separation of absorption bands,and are functional by isomerization,posing an unmet challenge.Here,a series of visible-light-operatedmolecular photoswitches,(E)-1-acetyl-2-((4-(diphenylamino)phenyl)imino)indolin-3-one,and its derivatives(PIO-01/02/03/04/05),featuring near-infrared second aggregation-induced emission(AIE)and impressive acid/basedriven switching,are constructed via twisted intramolecular charge transfer(TICT)and subsequent E/Z isomerization strategies.In addition,protonation not only endows these molecules with large separation(Δλ_(max))of over 100 nm,but also can be used as second independent input altering the light response.Based on calculation studies and advanced spectroscopic techniques,we provide the intricate interplay of the switching behavior of PIO-01/02/03/04/05 on their photochemical properties.The optimized compound PIO-01 shows significant applications in multi-color,multi-patterning display,transient information recording and erasing,and dual-mode encryption-decryption with ternary code.展开更多
基金the Natioanl Natural Science Foundation of China (Grant No. 11864011)in part by Youth Project of Scientific and technological Research Program of Chongqing Education Commission (Grant No. KJQN202101204)。
文摘Logic gates are fundamental structural components in all modern digital electronic devices. Here, nonequilibrium Green's functions are incorporated with the density functional theory to verify the thermal spin transport features of the single-molecule spintronic devices constructed by a single molecule in series or parallel connected with graphene nanoribbons electrodes. Our calculations demonstrate that the electric field can manipulate the spin-polarized current. Then, a complete set of thermal spin molecular logic gates are proposed, including AND, OR, and NOT gates. The mentioned logic gates enable different designs of complex thermal spin molecular logic functions and facilitate the electric field control of thermal spin molecular devices.
基金Project supported by the Natural Science Foundation of Shandong Province,China(Grant No.ZR2021MA059)the Major Scientific and Technological Innovation Project(MSTIP)of Shandong Province,China(Grant No.2019JZZY010209)。
文摘Based on the density functional theory combined with the nonequilibrium Green function methodology,we have studied the thermally-driven spin-dependent transport properties of a combinational molecular junction consisting of a planar four-coordinate Fe molecule and a 15,16-dinitrile dihydropyrene/cyclophanediene molecule,with single-walled carbon nanotube bridge and electrode.Our results show that the magnetic field and light can effectively regulate the thermallydriven spin-dependent currents.Perfect thermal spin-filtering effect and good thermal switching effect are realized.The results are explained by the Fermi-Dirac distribution function,the spin-resolved transmission spectra,the spatial distribution of molecular projected self-consistent Hamiltonian orbitals,and the spin-resolved current spectra.On the basis of these thermally-driven spin-dependent transport properties,we have further designed three basic thermal spin molecular AND,OR,and NOT gates.
基金National Natural Science Foundation of China(Grant Nos.11874242,21933002,and 11704230)China Postdoctoral Science Foundation(Grant No.2017M612321)the Taishan Scholar Project of Shandong Province of China.
文摘The idea of replacing traditional silicon-based electronic components with the ones assembled by organic molecules to further scale down the electric circuits has been attracting extensive research focuses.Among the molecularly assembled components,the design of molecular logic gates with simple structure and high Boolean computing speed remains a great challenge.Here,by using the state-of-the-art nonequilibrium Green’s function theory in conjugation with first-principles method,the spin transport properties of single-molecule junctions comprised of two serially connected transition metal dibenzotetraaza[14]annulenes(TM(DBTAA),TM=Fe,Co)sandwiched between two single-walled carbon nanotube electrodes are theoretically investigated.The numerical results show a close dependence of the spin-resolved current-voltage characteristics on spin configurations between the left and right molecular kernels and the kind of TM atom in TM(DBTAA)molecule.By taking advantage of spin degree of freedom of electrons,NOR or XNOR Boolean logic gates can be realized in Fe(DBTAA)and Co(DBTAA)junctions depending on the definitions of input and output signals.This work proposes a new kind of molecular logic gates and hence is helpful for further miniaturization of the electric circuits.
基金supported by National Natural Science Foundation of China(No.21275043)National Basic Research Program of China under Grants(No.2009CB421601)
文摘Designing molecular logic gates to operate programmably for molecular diagnostics in molecular computing still remains challenging.Here,we designed a novel linear DNA logic gates for microRNA analysis based on strand displacement and fluorescence resonance energy transfer（FRET）.Two labeled strands closed each other produce to FRET through hybridization with a complementary strand to form a basic work unit of logic gate.Two indicators of heart failure（microRNA-195 and microRNA-21） were selected as the logic inputs and the fluorescence mode was used as the logic output.We have demonstrated that the molecular logic gate mechanism worked well with the construction of YES and AND gates.
基金financially supported by the National Natural Science Foundation of China(21001058)the National Science Foundation for Fostering Talents in Basic Research of the NSFC(J1103307)+2 种基金the Fundamental Research Funds for the Central Universities(lzujbky-2013-ct02)Program for Changjiang Scholars and Innovative Research Team in University(IRT1138)the "111" Project of Ministry of Education
文摘A bifunctional probe 1 with iminocoumarin scaffold demonstrated different responses for Cu2+and Hg2+.In fluorescence mode of probe 1,the intensity at 528 nm was quenched severely upon the addition of Cu2+or Hg2+.Meanwhile,a new fluorescence band at 574 nm appeared in the case of Hg2+.In its UV-Vis absorption mode,significant hypochromic shift for Cu2+and bathochromic shift for Hg2+occurred,which are in agreement with the observation of distinct color changes.In addition,probe 1can be used for the construction of a molecular logic gate with NOR and INHIBIT logic functions.
基金supported by the Science and Technology Plan Projects of Guangxi Province(2024GXNSFAA010360 and AD22035156)National Natural Science Foundation of China(22265006,U23A20594,22375066 and 52333007)National Key Research and Development Program of China(2023YFB3810001).
文摘Information security protection has become a fundamental issue in the human life,national security,and social stability,which is enabled through the use of multi-responsive materials.Ideal multi-responsive materials are operated with visible to near infrared light,exhibit large separation of absorption bands,and are functional by isomerization,posing an unmet challenge.Here,a series of visible-light-operatedmolecular photoswitches,(E)-1-acetyl-2-((4-(diphenylamino)phenyl)imino)indolin-3-one,and its derivatives(PIO-01/02/03/04/05),featuring near-infrared second aggregation-induced emission(AIE)and impressive acid/basedriven switching,are constructed via twisted intramolecular charge transfer(TICT)and subsequent E/Z isomerization strategies.In addition,protonation not only endows these molecules with large separation(Δλ_(max))of over 100 nm,but also can be used as second independent input altering the light response.Based on calculation studies and advanced spectroscopic techniques,we provide the intricate interplay of the switching behavior of PIO-01/02/03/04/05 on their photochemical properties.The optimized compound PIO-01 shows significant applications in multi-color,multi-patterning display,transient information recording and erasing,and dual-mode encryption-decryption with ternary code.
