精品2009年先进功能材料夏季讲习班Sun_CQ.pptx

The universe = matter Condens matt = atoms + bonding + nonbondingStatics: order, nature, length, strengthDynamics: formation, dissociation, relaxation, vibrationStimuli: P, T, E, B, ….The laws and driving forces?Nonbonding Electronics Energetics: Progress prospects孙长庆Chang Q Sunmailto:ecqsun@ntu.edu.sgecqsun@ntu.edu.sgmailto:cqsun@xtu.edu.cncqsun@xtu.edu.cn OutlineChallenge objectiveConcepts definitionsTheories applicationsNonbonding antibonding statesBroken bond: surface energetics, size dependencyBroken bond + nonbond: GNR, 4SProspectsB,C, N, O, F-induced superconductivityNO signaling and CF4 synthetic blood actantConclusionChallengeMacroscopic ? Mesoscopic ? AtomisticQuantum approach for atomistic scales:AnisotropicInhomogeneityKinetic LocalizedStrain trapExternal stimulusClassical approach for macroscopic scales:Atomistic origin Statistic deviationCu3O2-kinetics.swf4-stage CuCu3O2-kinetics.swf3Cu3O2-kinetics.swfOCu3O2-kinetics.swf2Cu3O2-kinetics.swf bonding kinetics End, defect, and edge quantum trappingScience 307, 703 (2005)Int Rev Phys Chem 26, 619 (2007)PRL 99, 246102 (2007)Microelectronics Reliability 47 1580 (2007)Insight Quantum or continuum ??? Objectives Predictive observation from the perspective of Bond nonbond formation, dissociation, relaxation, vibration and the associated dynamics and kinetics of Charge repopulation, polarization, densification localizationBond:Covalent; ionic; metallicNonbonding unpaired:Graphite (sp2); s-metalsNonbonding lone pair:F, O, N (sp3)Antibonding dipole:Polarization; van der Waals Mixture:H-bond, C-H bond Broken bond:Defect, edge, surface, etcConcepts(energetics geometries)I Nonbonding antibonding statesBond-band-barrier correlationO2 and C2H2 adsorptionH- surface terminationBond-band-barrier correlation NH3 H2O -likeC2H2 and O2 on Cu(001)Lone pair vibration, superelasticity and hardness, diamond-metal adhesionH-embritlement of Ti II. Broken bond BOLS correlationSkin-depth quantum trappingSurface energet