Quantum electrochemistry
Encyclopedia
The scientific school of Quantum electrochemistry began to form in the 1960s under Revaz Dogonadze
. Generally speaking, the field comprises the notions arising in electrodynamics, quantum mechanics
, and electrochemistry
; and so is studied by a very large array of different professional researchers. The fields they reside in include, chemical
, electrical
and mechanical engineering, chemistry
and physics
.
More specifically, quantum electrochemistry is the application of quantum mechanical
tools such as density functional theory
to the study of electrochemical processes, including electron transfer at electrodes. It also includes models such as Marcus theory
.
to chemistry can be summarized as the application of quantum wave theory
models to atoms and molecules. This being the case, electrochemistry
, which is particularly concerned with the electronic state
s of some particular system, is already, by its nature, tied into the quantum mechanical model of the electron
in quantum chemistry. There were proponents of quantum electrochemistry, who applied quantum mechanics to electrochemistry with unusual zeal, clarity and precision. Among them were Revaz Dogonadze
and his co-workers. They developed one of the early quantum mechanical models for proton
transfer reactions
in chemical systems. Dogonadze is a particularly celebrated promoter of quantum electrochemistry, and is also credited with forming an international summer school of quantum electrochemistry centered in Yugoslavia
. He was a main author of the Quantum-Mechanical Theory of Kinetics of the Elementary Act of Chemical, Electrochemical and Biochemical Processes in Polar Liquids. Another important contributor is Rudolph A. Marcus
, who won the Nobel Prize in Chemistry
in 1992 for his Theory of Electron Transfer Reactions in Chemical Systems.
Revaz Dogonadze
Revaz Dogonadze was a notable Georgian scientist, Corresponding Member of the Georgian National Academy of Sciences , Dr.Sc. , Professor, one of the founders of quantum electrochemistry,-Life and works:...
. Generally speaking, the field comprises the notions arising in electrodynamics, quantum mechanics
Quantum mechanics
Quantum mechanics, also known as quantum physics or quantum theory, is a branch of physics providing a mathematical description of much of the dual particle-like and wave-like behavior and interactions of energy and matter. It departs from classical mechanics primarily at the atomic and subatomic...
, and electrochemistry
Electrochemistry
Electrochemistry is a branch of chemistry that studies chemical reactions which take place in a solution at the interface of an electron conductor and an ionic conductor , and which involve electron transfer between the electrode and the electrolyte or species in solution.If a chemical reaction is...
; and so is studied by a very large array of different professional researchers. The fields they reside in include, chemical
Chemical engineering
Chemical engineering is the branch of engineering that deals with physical science , and life sciences with mathematics and economics, to the process of converting raw materials or chemicals into more useful or valuable forms...
, electrical
Electrical engineering
Electrical engineering is a field of engineering that generally deals with the study and application of electricity, electronics and electromagnetism. The field first became an identifiable occupation in the late nineteenth century after commercialization of the electric telegraph and electrical...
and mechanical engineering, chemistry
Chemistry
Chemistry is the science of matter, especially its chemical reactions, but also its composition, structure and properties. Chemistry is concerned with atoms and their interactions with other atoms, and particularly with the properties of chemical bonds....
and physics
Physics
Physics is a natural science that involves the study of matter and its motion through spacetime, along with related concepts such as energy and force. More broadly, it is the general analysis of nature, conducted in order to understand how the universe behaves.Physics is one of the oldest academic...
.
More specifically, quantum electrochemistry is the application of quantum mechanical
Quantum mechanics
Quantum mechanics, also known as quantum physics or quantum theory, is a branch of physics providing a mathematical description of much of the dual particle-like and wave-like behavior and interactions of energy and matter. It departs from classical mechanics primarily at the atomic and subatomic...
tools such as density functional theory
Density functional theory
Density functional theory is a quantum mechanical modelling method used in physics and chemistry to investigate the electronic structure of many-body systems, in particular atoms, molecules, and the condensed phases. With this theory, the properties of a many-electron system can be determined by...
to the study of electrochemical processes, including electron transfer at electrodes. It also includes models such as Marcus theory
Marcus Theory
Marcus Theory is a theory originally developed by Rudolph A. Marcus, starting in 1956, to explain the rates of electron transfer reactions – the rate at which an electron can move or jump from one chemical species to another...
.
History and contributors
The first development of "quantum electrochemistry" is somewhat difficult to pin down. This is not very surprising, since the development of quantum mechanicsQuantum mechanics
Quantum mechanics, also known as quantum physics or quantum theory, is a branch of physics providing a mathematical description of much of the dual particle-like and wave-like behavior and interactions of energy and matter. It departs from classical mechanics primarily at the atomic and subatomic...
to chemistry can be summarized as the application of quantum wave theory
Schrödinger equation
The Schrödinger equation was formulated in 1926 by Austrian physicist Erwin Schrödinger. Used in physics , it is an equation that describes how the quantum state of a physical system changes in time....
models to atoms and molecules. This being the case, electrochemistry
Electrochemistry
Electrochemistry is a branch of chemistry that studies chemical reactions which take place in a solution at the interface of an electron conductor and an ionic conductor , and which involve electron transfer between the electrode and the electrolyte or species in solution.If a chemical reaction is...
, which is particularly concerned with the electronic state
Electronic state
Electronic state is a quantum state of a system consisting of electrons . The state with lowest energy is called ground state, states with higher energy are excited states.See Energy level....
s of some particular system, is already, by its nature, tied into the quantum mechanical model of the electron
Electron
The electron is a subatomic particle with a negative elementary electric charge. It has no known components or substructure; in other words, it is generally thought to be an elementary particle. An electron has a mass that is approximately 1/1836 that of the proton...
in quantum chemistry. There were proponents of quantum electrochemistry, who applied quantum mechanics to electrochemistry with unusual zeal, clarity and precision. Among them were Revaz Dogonadze
Revaz Dogonadze
Revaz Dogonadze was a notable Georgian scientist, Corresponding Member of the Georgian National Academy of Sciences , Dr.Sc. , Professor, one of the founders of quantum electrochemistry,-Life and works:...
and his co-workers. They developed one of the early quantum mechanical models for proton
Proton
The proton is a subatomic particle with the symbol or and a positive electric charge of 1 elementary charge. One or more protons are present in the nucleus of each atom, along with neutrons. The number of protons in each atom is its atomic number....
transfer reactions
Chemical reaction
A chemical reaction is a process that leads to the transformation of one set of chemical substances to another. Chemical reactions can be either spontaneous, requiring no input of energy, or non-spontaneous, typically following the input of some type of energy, such as heat, light or electricity...
in chemical systems. Dogonadze is a particularly celebrated promoter of quantum electrochemistry, and is also credited with forming an international summer school of quantum electrochemistry centered in Yugoslavia
Yugoslavia
Yugoslavia refers to three political entities that existed successively on the western part of the Balkans during most of the 20th century....
. He was a main author of the Quantum-Mechanical Theory of Kinetics of the Elementary Act of Chemical, Electrochemical and Biochemical Processes in Polar Liquids. Another important contributor is Rudolph A. Marcus
Rudolph A. Marcus
Rudolph "Rudy" Arthur Marcus is a Canadian-born chemist who received the 1992 Nobel Prize in Chemistry for his theory of electron transfer. Marcus theory, named after him, provides a thermodynamic and kinetic framework for describing one electron outer-sphere electron transfer.He was born in...
, who won the Nobel Prize in Chemistry
Nobel Prize in Chemistry
The Nobel Prize in Chemistry is awarded annually by the Royal Swedish Academy of Sciences to scientists in the various fields of chemistry. It is one of the five Nobel Prizes established by the will of Alfred Nobel in 1895, awarded for outstanding contributions in chemistry, physics, literature,...
in 1992 for his Theory of Electron Transfer Reactions in Chemical Systems.