Chapter 12
Perspectives
Abstract A combination of the BOLS-NEP-LBA theory and its enabled ZPS
and APECS have enabled ever-deep and consistent insight into the irregularlycoordination effect on the bonding and electronic dynamics and associated performance of materials. This set of strategies derive the atomistic, local, quantitative
information on the bond length and energy, binding energy density, atomic cohesive
energy, energy levels of an isolated atoms and its shift upon coordination environment change, which are crutial to functional material devising. It is emphasized that
the premise of “coordination bonding and electronic dynamics” could feature the
performance of atoms, elelctrons, and molecules in the energetic-spatial-temporal
domains effectively and the electron spectrometrics offers information for genomic
engineering of matter and life.
Highlights
• BOLS-NEP-LBA notion enables ZPS to refine atomistic bonding and electronic
dynamics.
• APECS, STM/S, PES, and AES complement one another to probe comprehensive
information.
• Irregular coordination results in bond relaxation and electron localization, entrapment, and polarization.
• Bond length and energy, energy density, atomic cohesive energy, charge distribution are critical.
12.1 Advantages and Attainments
The following summarizes major progress advanced from the presented strategies:
(1) Bond formation and relaxation and the associated energetics, localization, densification, entrapment, and polarization mediate the structure and property of a
substance.
© The Editor(s) (if applicable) and The Author(s), under exclusive license
to Springer Nature Singapore Pte Ltd. 2020
C. Q. Sun, Electron and Phonon Spectrometrics,
https://doi.org/10.1007/978-981-15-3176-7_12
243
Perspectives
Abstract A combination of the BOLS-NEP-LBA theory and its enabled ZPS
and APECS have enabled ever-deep and consistent insight into the irregularlycoordination effect on the bonding and electronic dynamics and associated performance of materials. This set of strategies derive the atomistic, local, quantitative
information on the bond length and energy, binding energy density, atomic cohesive
energy, energy levels of an isolated atoms and its shift upon coordination environment change, which are crutial to functional material devising. It is emphasized that
the premise of “coordination bonding and electronic dynamics” could feature the
performance of atoms, elelctrons, and molecules in the energetic-spatial-temporal
domains effectively and the electron spectrometrics offers information for genomic
engineering of matter and life.
Highlights
• BOLS-NEP-LBA notion enables ZPS to refine atomistic bonding and electronic
dynamics.
• APECS, STM/S, PES, and AES complement one another to probe comprehensive
information.
• Irregular coordination results in bond relaxation and electron localization, entrapment, and polarization.
• Bond length and energy, energy density, atomic cohesive energy, charge distribution are critical.
12.1 Advantages and Attainments
The following summarizes major progress advanced from the presented strategies:
(1) Bond formation and relaxation and the associated energetics, localization, densification, entrapment, and polarization mediate the structure and property of a
substance.
© The Editor(s) (if applicable) and The Author(s), under exclusive license
to Springer Nature Singapore Pte Ltd. 2020
C. Q. Sun, Electron and Phonon Spectrometrics,
https://doi.org/10.1007/978-981-15-3176-7_12
243