Principles and methods of low energy quantum electrodynamics

• Grant number: 24/02000-2
• Support Opportunities: Research Projects - Thematic Grants
• Start date: February 01, 2025
• End date: January 31, 2030
• Field of knowledge: Physical Sciences and Mathematics - Chemistry - Physical-Chemistry
• Principal Investigator: Paulo Roberto Bueno
• Grantee: Paulo Roberto Bueno
• Host Institution: Instituto de Química (IQ). Universidade Estadual Paulista (UNESP). Campus de Araraquara. Araraquara , SP, Brazil
• Pesquisadores principais: Eduardo Maffud Cilli ; Marcelo Ornaghi Orlandi
• Associated researchers: Adriano dos Santos ; Marcelo Mulato ; Paulo Ricardo da Silva Sanches ; Renato Sousa Lima
• Associated scholarship(s): 25/03273-5 - Quantum Rate Theory and Pseudocapacitance Phenomena, BP.PD; 25/03386-4 - Quantum Electronics of 1d and 2d Electrochemical Nanostructures And Applications, BP.DD; 25/03387-0 - Exploring Quantum Electrochemical Based Signal Transduction For Biosensing Approaches In Healthcare Applications, BP.DD

Abstract

Quantum electrodynamics describes how light and matter interact and is the first theory where full agreement between quantum mechanics and special relativity is achieved. The Nanobionics research group has been investigating (both theoretically and experimentally) how electrons are transferred, transported, and stored at the nanoscale level in an electrolyte environment and demonstrated that electrons follow relativistic quantum electrodynamics rules. Therefore, the focus of this research proposal is to understand quantum electrodynamics phenomena occurring in an electrolyte medium, which is the environment in which life arises. This mainly comprises electrochemistry, which is the field of chemistry in which the electron transfer (ET) phenomenon is studied. The ET phenomenon is of key importance for understanding biological processes such as respiration and photosynthesis. However, ET theories have been for more than 70 years solely understood from a semi-classical perspective, in which the dominant theoretical view is Marcus's ET theory (the 1992 Nobel prized theory in the field of chemistry). The first principles of quantum mechanics for ET theory have been proposed by our research group and this approach has been named quantum rate (QR) theory. The theory is based on a first-principle quantum mechanical rate concept that comprises the Planck-Einstein relationship E=h½, where ½=e^2/hC_q is a frequency associated with the quantum capacitance C_q and E=e^2/C_q is the energy associated with ½. The consideration of statistical mechanics over E=e^2/C_q allows us to derive Marcus's ET Arrhenius-type rate constant simply as a particular setting of the quantum rate ½. Consequently, this ½ concept provides the quantum mechanical foundations for electrochemical reactions at room temperature. However, the theory goes beyond the explanation of the ET rate concept in the field of physical chemistry. It allows us to understand the quantum electrodynamics of graphene, and the electron transport within molecular junctions and provides a way of calculating the electronic structure of organic and inorganic quantum dots, two-dimensional structures such as graphene, and beyond.The purpose of this research proposal is to continue exploring the fundamental basis of the QR theory and to explore its application in understanding biological processes and as a tool for quantum electro-analytical chemistry that encompasses applications in molecular diagnostics, calculation of molecular binding affinity constants, study of heterogeneous reaction, development of quantum resistive-capacitive field-effect transistor and transducers, as well as to understand the pseudocapacitance phenomenon as a basic concept of the functioning of supercapacitors and batteries, etc. (AU)