MOLECULAR DEVICES FROM THE POINT OF VIEW OF QUANTUM CHEMISTRY

Operation co-funded by EU cohesion policy (European Regional Development Fund (ERDF)) under the programme Multi-regional Spain - ERDF (2014ES16RFOP002), managing authority: Subdirección General de Gestión del FEDER, de la Dirección General de Fondos Europeos del Ministerio de Hacienda.. The source names no beneficiary for this operation. Location: Seville Province (NUTS ES618); Spain. Budget: total eligible expenditure EUR 45,980; EU co-financing EUR 36,784 (co-financing rate 80%), as stated by the source. Runs 2019-01-01 to 2021-12-31. Source: Kohesio, EU cohesion policy projects managed by national and regional authorities (not CORDIS). Summary from Kohesio (English machine translation by the source): THE DEVICES BASED ON MOLECULES AIM AT NOT JUST THE MINIATURIZATION BUT ALSO BENEFITING OF THE ADVANTAGES OFFERED TO THESE BUILDING BLOCKS. THIS IS THE CENTRAL IDEA OF THE MOLECULAR ELECTRONICS, MOLECULAR MAGNETISM AND MOLECULAR SPINTRONICS. THE MOLECULES, THE SMALLEST UNIT OF MATTER THAT CAN BE CHEMICALLY TAILORED, HAVE WELL DEFINED ELECTRONIC STATES, WHICH CAN BE MANIPULATED TO PROVIDE NEW FUNCTIONALITIES TO THE DEVICES, WITH NO CLASSICAL COUNTERPART. FOR EXAMPLE, SPIN-CROSSOVER COMPLEXES CAN BE SWITCHED BETWEEN TWO DIFFERENT SPIN STATES BY EXTERNAL STIMULI SUCH AS LIGHT, ELECTRIC FIELD OR TEMPERATURE. THE COMPLEXES KNOWN AS SINGLE-MOLECULE MAGNETS HAVE SLOW QUANTUM SPIN DYNAMICS, RESULTING IN A MAGNETIC-MEMORY EFFECT AT LOW TEMPERATURE. TO DETECT AND MANIPULATE THE MOLECULAR SPIN ARE ON THE BASIS OF THE HIGH-DENSITY INFORMATION STORAGE AND THE REALIZATION OF SPIN QBITS FOR QUANTUM COMPUTING. MOREOVER THE MOLECULAR ADSORPTION ON SURFACES RESULTS IN NEW SPIN PROPERTIES ARISING FROM THE MOLECULE/SUBSTRATE HYBRIDIZATION, CHARGE TRANSFER AND EVEN CHEMICAL REACTIONS (INTERFACIAL SPIN EFFECTS, OR SPINTERFACE). ADDITIONALLY, THE PRACTICAL IMPLEMENTATION OF THESE DEVICES REQUIRES THAT THE MOLECULE RETAINS ITS PROPERTIES ONCE IT IS DEPOSITED ON A SURFACE. THE MAIN GOAL OF THIS PROJECT IS TO ANALYZE THE PROPERTIES OF SOME MOLECULES CANDIDATES FOR MOLECULAR DEVICES BY MEANS OF THE QUANTUM CHEMISTRY TOOLS, WITH THE AIM OF HELPING IN THE UNDERSTANDING AND RATIONALIZATION OF THEIR PROPERTIES AND THE PHYSICAL MECHANISMS GOVERNING THEIR PROPERTIES. WE WILL FOCUS ON THREE TYPES OF SYSTEMS: A. MIXED-VALENCE MOLECULES AS MOLECULAR QUANTUM-DOT CELLULAR AUTOMATA (MQCA), WHERE THE BINARY INFORMATION IS ENCODED IN THE CHARGE CONFIGURATION OF THE MOLECULAR REDOX SITES. THIS CONFIGURATION MUST BE RETAINED AFTER THE DEPOSITION ON A SURFACE. THE INFORMATION IS TRANSFERRED WITHOUT ELECTRON FLOW AND WITHOUT ENERGY DISSIPATION. B. SPIN-CROSSOVER COMPLEXES DEPOSITED ON A SURFACE SHOW DIFFERENT [shortened; the full text is on the Kohesio page]

Original source.

Source: Kohesio (EU cohesion policy projects), European Commission, Directorate-General for Regional and Urban Policy (DG REGIO). Retrieved 2026-10-21. Licence: CC0 1.0 (Cohesion Open Data Platform, dataset 2014-2020 Kohesio projects). Selected metadata, adapted presentation; the publisher's record is authoritative. No endorsement by the source is implied. Licence: public domain dedication (CC0 1.0).

AI-assisted summary: The operation titled "Molecular Devices from the Point of View of Quantum Chemistry" was co-funded by the EU under the Multi-regional Spain programme, with a budget of EUR 45,980. It ran from January 1, 2019, to December 31, 2021, in Seville Province, Spain. Suggested technology pillar: enabling. Generated by AI from the public source text; it may contain errors and the original source is authoritative.