Local softness, scanning tunneling microscopy, and surface reactivity
Within the finite temperature extension of density functional theory, it is shown that local softness measures the ability of a chemical system to gain or donate charge as the external potential changes. This feature allows a formal connection between local softness and scanning tunneling microscopy...
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| Veröffentlicht in: | Journal of physical chemistry (1952) 1993, Vol.97 (4), p.783-785 |
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| Format: | Artikel |
| Sprache: | eng |
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| container_end_page | 785 |
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| container_issue | 4 |
| container_start_page | 783 |
| container_title | Journal of physical chemistry (1952) |
| container_volume | 97 |
| creator | Galvan, Marcelo Dal Pino, Arnaldo Wang, Jing Joannopoulos, John D |
| description | Within the finite temperature extension of density functional theory, it is shown that local softness measures the ability of a chemical system to gain or donate charge as the external potential changes. This feature allows a formal connection between local softness and scanning tunneling microscopy (STM) images to be established. Under appropriate conditions, STM images can be used to measure local softness for surfaces. A potential application of those images as reactivity criteria within the context of the hard and soft acids and bases (HSAB) principle is discussed. |
| doi_str_mv | 10.1021/j100106a001 |
| format | Article |
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This feature allows a formal connection between local softness and scanning tunneling microscopy (STM) images to be established. Under appropriate conditions, STM images can be used to measure local softness for surfaces. A potential application of those images as reactivity criteria within the context of the hard and soft acids and bases (HSAB) principle is discussed.</description><identifier>ISSN: 0022-3654</identifier><identifier>EISSN: 1541-5740</identifier><identifier>DOI: 10.1021/j100106a001</identifier><identifier>CODEN: JPCHAX</identifier><language>eng</language><publisher>Washington, DC: American Chemical Society</publisher><subject>Chemistry ; Exact sciences and technology ; General and physical chemistry ; General. Nomenclature, chemical documentation, computer chemistry ; Theory of reactions, general kinetics. Catalysis. 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Phys. Chem</addtitle><description>Within the finite temperature extension of density functional theory, it is shown that local softness measures the ability of a chemical system to gain or donate charge as the external potential changes. This feature allows a formal connection between local softness and scanning tunneling microscopy (STM) images to be established. Under appropriate conditions, STM images can be used to measure local softness for surfaces. A potential application of those images as reactivity criteria within the context of the hard and soft acids and bases (HSAB) principle is discussed.</description><subject>Chemistry</subject><subject>Exact sciences and technology</subject><subject>General and physical chemistry</subject><subject>General. Nomenclature, chemical documentation, computer chemistry</subject><subject>Theory of reactions, general kinetics. Catalysis. 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| ispartof | Journal of physical chemistry (1952), 1993, Vol.97 (4), p.783-785 |
| issn | 0022-3654 1541-5740 |
| language | eng |
| recordid | cdi_proquest_miscellaneous_26050308 |
| source | ACS Publications |
| subjects | Chemistry Exact sciences and technology General and physical chemistry General. Nomenclature, chemical documentation, computer chemistry Theory of reactions, general kinetics. Catalysis. Nomenclature, chemical documentation, computer chemistry |
| title | Local softness, scanning tunneling microscopy, and surface reactivity |
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