Amedeo CAPOBIANCO | ELECTRO-OPTICAL DEVICES FOR SUSTAINABLE DEVELOPMENT

cod. 0522300059

ELECTRO-OPTICAL DEVICES FOR SUSTAINABLE DEVELOPMENT

	0522300059
	DEPARTMENT OF CHEMISTRY AND BIOLOGY "ADOLFO ZAMBELLI"
	EQF7
	CHEMISTRY
	2021/2022

CURRICULUM SUSTAINABLE CHEMISTRY

	OBBLIGATORIO
	YEAR OF COURSE 1
	YEAR OF DIDACTIC SYSTEM 2016
	AUTUMN SEMESTER

TEACHING UNITS

SSD	CFU	HOURS	ACTIVITY	TYPE OF ACTIVITY
CHIM/02	7	56	LESSONS	COMPULSORY SUBJECTS, CHARACTERISTIC OF THE CLASS
CHIM/02	3	36	EXERCISES	COMPULSORY SUBJECTS, CHARACTERISTIC OF THE CLASS
CHIM/02	2	24	LAB	COMPULSORY SUBJECTS, CHARACTERISTIC OF THE CLASS

PROFESSORS

	AMEDEO CAPOBIANCO T Curriculum
	ANDREA PELUSO Curriculum

	Objectives
	KNOWLEDGE AND UNDERSTANDING THE COURSE AIMS AT PROVIDING THE PHYSICAL AND CHEMICAL PRINCIPLES THAT GOVERN THE PROPERTIES OF MOLECULES AND MATERIALS FOR THE SUSTAINABLE DEVELOPMENT OF ELECTRO-OPTICAL DEVICES WITH BROAD TECHNOLOGICAL APPLICATIONS IN ORGANIC ELECTRONICS SUCH AS PHOTOVOLTAIC AND SOLAR CELLS, LED AND OLED AND PHOTONICS. APPLYING KNOWLEDGE AND UNDERSTANDING THE NUMERICAL EXERCISES WILL ALLOW THE STUDENT TO BECOME FAMILIAR WITH SOFTWARE PACKAGES ALREADY AVAILABLE AND LARGELY USED IN ACADEMY AND INDUSTRY, AND TO ADDRESS INDEPENDENTLY THE COMPUTATIONAL STUDY OF MOLECULAR STRUCTURES, SUPRAMOLECULAR AGGREGATES AND MATERIALS. MAKING JUDGMENTS THE STUDENT WILL BE ABLE TO CRITICALLY DISCUSS THE VALIDITY OF THE RESULTS OBTAINED IN DISCUSSIONS PROMOTED BY THE TEACHER IN THE LABORATORY GROUP. COMMUNICATION SKILLS THE COURSE WILL ENABLE STUDENTS TO ACQUIRE THE APPROPRIATE TERMINOLOGY TO DESCRIBE THE MOLECULAR PROPERTIES OF MATERIALS, ALSO BY READING ARTICLES PUBLISHED IN INTERNATIONAL JOURNALS.

KNOWLEDGE AND UNDERSTANDING
THE COURSE AIMS AT PROVIDING THE PHYSICAL AND CHEMICAL PRINCIPLES THAT GOVERN THE PROPERTIES OF MOLECULES AND MATERIALS FOR THE SUSTAINABLE DEVELOPMENT OF ELECTRO-OPTICAL DEVICES WITH BROAD TECHNOLOGICAL APPLICATIONS IN ORGANIC ELECTRONICS SUCH AS PHOTOVOLTAIC AND SOLAR CELLS, LED AND OLED AND PHOTONICS.

APPLYING KNOWLEDGE AND UNDERSTANDING
THE NUMERICAL EXERCISES WILL ALLOW THE STUDENT TO BECOME FAMILIAR WITH SOFTWARE PACKAGES ALREADY AVAILABLE AND LARGELY USED IN ACADEMY AND INDUSTRY, AND TO ADDRESS INDEPENDENTLY THE COMPUTATIONAL STUDY OF MOLECULAR STRUCTURES, SUPRAMOLECULAR AGGREGATES AND MATERIALS.

MAKING JUDGMENTS
THE STUDENT WILL BE ABLE TO CRITICALLY DISCUSS THE VALIDITY OF THE RESULTS OBTAINED IN DISCUSSIONS PROMOTED BY THE TEACHER IN THE LABORATORY GROUP.

COMMUNICATION SKILLS
THE COURSE WILL ENABLE STUDENTS TO ACQUIRE THE APPROPRIATE TERMINOLOGY TO DESCRIBE THE MOLECULAR PROPERTIES OF MATERIALS, ALSO BY READING ARTICLES PUBLISHED IN INTERNATIONAL JOURNALS.

	Prerequisites
	A BASIC KNOWLEDGE OF CLASSICAL MECHANICS, ELECTROMAGNETISM. LINEAR ALGEBRA, CALCULUS, QUANTUM PHYSICS AND QUANTUM CHEMISTRY, GENERAL AND ORGANIC CHEMISTRY.

	Contents
	THE COURSE IS DIVIDED INTO TWO MODULES ("A" 92 HOURS, "B" 24 HOURS). MODULE "A" IS 32 HOURS OF THEORETICAL LESSONS, 36 HOURS OF EXERCISES AND 24 HOURS OF COMPUTATIONAL LABORATORY, THE LATTER REQUIRES COMPULSORY ATTENDANCE. MODULE "B" IS 24 HOURS OF THEORETICAL FRONTAL LESSONS. MODULE A: LESSONS AND EXERCISES APPLICATIONS OF SEMICONDUCTORS (LESSONS 2 HOURS + EXERCISE 3 HOURS). HUCKEL'S METHOD (2 HOUR LESSONS + 3 HOURS EXERCISE). ELECTRONIC STATES OF MOLECULES AND INFINITE SYSTEMS. THE LINEAR CHAIN OF HYDROGEN ATOMS. THE CYCLIC CHAIN. BLOCH FUNCTIONS AND BOUNDARY CONDITIONS, 1-DI CASE (LESSON 1 HOUR + EXERCISE 4 HOURS). THE BOND ORDER IN INFINITE SYSTEMS. ORBITALS OF 1-D CRYSTAL. THE CRYSTAL AS A “GIANT MOLECULE”. BLOCH WAVE FUNCTIONS (3 HOURS LESSON). ORBITALS OF 2- AND 3-D CRYSTALS (LESSONS 2 HOURS + PRACTICE 3 HOURS). DENSITY OF STATES AND THE BAND MODEL (LESSON 2 HOURS). CONDUCTORS, INSULATORS, SEMICONDUCTORS (LESSON 1 HOUR + EXERCISE 4 HOURS). THE FREE ELECTRON AND FERMI DISTRIBUTION (LESSON 2 HOURS + EXERCISE 3 HOURS). THE BANDGAP. CONDUCTIVITY. PEIERLS DISTORSIONS: POLYACETYLENE (EXERCISE 2 HOURS) OHM'S LAW (LOCAL), THE CONCEPT OF EFFECTIVE MASS (LESSON 2 HOURS + EXERCISE 3 HOURS). KINETIC EFFECTS IN CONDUCTIVITY (LESSON 1 HOUR + EXERCISE 1 HOUR). DIRECT AND INDIRECT SEMICONDUCTORS. THE PN JUNCTION (LESSON 2 + EXERCISE 3 HOURS) IDEAL AND REAL DIODE. CIRCUITS LOGIC AND THE PN JUNCTION (LESSON 1 HOUR + EXERCISE 1 HOUR). FICK FIRST LAW, DIFFUSION. BEER'S LAW IN SOLIDS (LESSON 2 HOURS + EXERCISE 1 HOUR). PHOTODIODES, XEROGRAPHIC PROCESS, PHOTOCONDUCTIVITY (LESSON 2 HOURS + PRACTICE 1 HOUR). PHOTOVOLTAIC CELLS (LESSON 2 HOURS + EXERCISE 1 HOUR). LEDS AND OLEDS (2 HOUR LESSONS + 1 HOUR EXERCISE). KINETIC PHENOMENA ASSOCIATED WITH CONDUCTIVITY, COLOR SPACES AND OLEDS (LESSON 2 HOURS + EXERCISE 1 HOUR). MODULE A: COMPUTATIONAL LABORATORY (8 EXPERIENCES 3 HOURS EACH, 24 HOURS TOTAL) EXPER.1: MATLAB PROGRAMMING. EXPER.2: CODING THE HUCKEL METHOD WITH MATLAB. EXPER.3: CODINFG AND ANALYZING BAND STRUCTURE OF MODEL CRYSTALLS. EXPER.4: DENSITY OF STATES AND THE DIRAC DELTA FUNCTION. EXPER.5: COMPUTATIONAL CHEMISTRY, MOLECULAR BUILDING AND QUANTUM CHEMISTRY SOTWARE. THE BASIS SET. THE LCAO-HF METHOD. EXPER.6: HF MOS FOR AROMATIC HYDROCARBONS. COMPARISON WITH THE PREDICTION OF THE HUCKEL METHOD. EXPER.7: THE ENERGY LEVELS OF THE ELECTRON. PREDICTION OF THE IONIZATION POTENTIAL AND THE ELECTRONIC AFFINITY OF SIMPLE UNSATURATED MOLECULES BY DFT COMPUTATIONS. COMPARISON WITH EXPERIMENTAL DATA. EXPER.8: THE ELECTRIC AND THE OPTICAL BANGAP. DFT PREDICTION OF THE BANDGAP AND COMPARISON WITH EXPERIMENTAL DATA. MODULE B (LECTURES, 24 HOURS) ELECTRONIC STATES OF MOLECULES: SINGLET, TRIPLET, ABSORPTION AND EMISSION (2 HOURS). RADIATIVE TRANSITIONS: FERMI GOLDEN RULE (2 HOURS). ELECTRONIC AND THE VIBRONIC FACTOR (2 HOURS). REVIEWS OF SPECTROSCOPY: TRANSITION PROBABILITY AND EINSTEIN COEFFICIENTS, OSCILLATOR STRENGTH (2 HOURS). NON RADIATIVE TRANSITIONS: INTERNAL CONVERSION AND INTERSYSTEM CROSSING (2 HOURS). FRANCK CONDON FACTORS AND ELECTRONIC COUPLINGS (2 HOURS). PHOTOCHEMISTRY: PHOSPHORESCENCE, FLUORESCENCE AND QUANTUM YIELD (2 HOURS). EXCITED STATE LIFETIME. FLASH PHOTOLYSIS AND PUMP PROBE SPECTROSCOPY (2 HOURS). FORSTER AND DEXTER ENERGY TRANSFER (2 HOURS). CHARGE TRANSFER: MARCUS THEORY (2 HOURS). THE LASER (2 HOURS). DEVICES BASED ON ORGANIC SEMICONDUCTORS: SOLAR AND PHOTOVOLTAIC CELLS. DSSC AND BULK ETEROJUNCTION CELLS (2 HOURS).

Contents

THE COURSE IS DIVIDED INTO TWO MODULES ("A" 92 HOURS, "B" 24 HOURS). MODULE "A" IS 32 HOURS OF THEORETICAL LESSONS, 36 HOURS OF EXERCISES AND 24 HOURS OF COMPUTATIONAL LABORATORY, THE LATTER REQUIRES COMPULSORY ATTENDANCE. MODULE "B" IS 24 HOURS OF THEORETICAL FRONTAL LESSONS.

MODULE A: LESSONS AND EXERCISES
APPLICATIONS OF SEMICONDUCTORS (LESSONS 2 HOURS + EXERCISE 3 HOURS). HUCKEL'S METHOD (2 HOUR LESSONS + 3 HOURS EXERCISE). ELECTRONIC STATES OF MOLECULES AND INFINITE SYSTEMS. THE LINEAR CHAIN OF HYDROGEN ATOMS. THE CYCLIC CHAIN. BLOCH FUNCTIONS AND BOUNDARY CONDITIONS, 1-DI CASE (LESSON 1 HOUR + EXERCISE 4 HOURS). THE BOND ORDER IN INFINITE SYSTEMS. ORBITALS OF 1-D CRYSTAL. THE CRYSTAL AS A “GIANT MOLECULE”. BLOCH WAVE FUNCTIONS (3 HOURS LESSON). ORBITALS OF 2- AND 3-D CRYSTALS (LESSONS 2 HOURS + PRACTICE 3 HOURS). DENSITY OF STATES AND THE BAND MODEL (LESSON 2 HOURS). CONDUCTORS, INSULATORS, SEMICONDUCTORS (LESSON 1 HOUR + EXERCISE 4 HOURS). THE FREE ELECTRON AND FERMI DISTRIBUTION (LESSON 2 HOURS + EXERCISE 3 HOURS). THE BANDGAP. CONDUCTIVITY. PEIERLS DISTORSIONS: POLYACETYLENE (EXERCISE 2 HOURS) OHM'S LAW (LOCAL), THE CONCEPT OF EFFECTIVE MASS (LESSON 2 HOURS + EXERCISE 3 HOURS). KINETIC EFFECTS IN CONDUCTIVITY (LESSON 1 HOUR + EXERCISE 1 HOUR). DIRECT AND INDIRECT SEMICONDUCTORS. THE PN JUNCTION (LESSON 2 + EXERCISE 3 HOURS) IDEAL AND REAL DIODE. CIRCUITS LOGIC AND THE PN JUNCTION (LESSON 1 HOUR + EXERCISE 1 HOUR). FICK FIRST LAW, DIFFUSION. BEER'S LAW IN SOLIDS (LESSON 2 HOURS + EXERCISE 1 HOUR). PHOTODIODES, XEROGRAPHIC PROCESS, PHOTOCONDUCTIVITY (LESSON 2 HOURS + PRACTICE 1 HOUR). PHOTOVOLTAIC CELLS (LESSON 2 HOURS + EXERCISE 1 HOUR). LEDS AND OLEDS (2 HOUR LESSONS + 1 HOUR EXERCISE). KINETIC PHENOMENA ASSOCIATED WITH CONDUCTIVITY, COLOR SPACES AND OLEDS (LESSON 2 HOURS + EXERCISE 1 HOUR).

MODULE A: COMPUTATIONAL LABORATORY (8 EXPERIENCES 3 HOURS EACH, 24 HOURS TOTAL)
EXPER.1: MATLAB PROGRAMMING. EXPER.2: CODING THE HUCKEL METHOD WITH MATLAB. EXPER.3: CODINFG AND ANALYZING BAND STRUCTURE OF MODEL CRYSTALLS. EXPER.4: DENSITY OF STATES AND THE DIRAC DELTA FUNCTION. EXPER.5: COMPUTATIONAL CHEMISTRY, MOLECULAR BUILDING AND QUANTUM CHEMISTRY SOTWARE. THE BASIS SET. THE LCAO-HF METHOD. EXPER.6: HF MOS FOR AROMATIC HYDROCARBONS. COMPARISON WITH THE PREDICTION OF THE HUCKEL METHOD. EXPER.7: THE ENERGY LEVELS OF THE ELECTRON. PREDICTION OF THE IONIZATION POTENTIAL AND THE ELECTRONIC AFFINITY OF SIMPLE UNSATURATED MOLECULES BY DFT COMPUTATIONS. COMPARISON WITH EXPERIMENTAL DATA. EXPER.8: THE ELECTRIC AND THE OPTICAL BANGAP. DFT PREDICTION OF THE BANDGAP AND COMPARISON WITH EXPERIMENTAL DATA.

MODULE B (LECTURES, 24 HOURS)
ELECTRONIC STATES OF MOLECULES: SINGLET, TRIPLET, ABSORPTION AND EMISSION (2 HOURS). RADIATIVE TRANSITIONS: FERMI GOLDEN RULE (2 HOURS). ELECTRONIC AND THE VIBRONIC FACTOR (2 HOURS). REVIEWS OF SPECTROSCOPY: TRANSITION PROBABILITY AND EINSTEIN COEFFICIENTS, OSCILLATOR STRENGTH (2 HOURS). NON RADIATIVE TRANSITIONS: INTERNAL CONVERSION AND INTERSYSTEM CROSSING (2 HOURS). FRANCK CONDON FACTORS AND ELECTRONIC COUPLINGS (2 HOURS). PHOTOCHEMISTRY: PHOSPHORESCENCE, FLUORESCENCE AND QUANTUM YIELD (2 HOURS). EXCITED STATE LIFETIME. FLASH PHOTOLYSIS AND PUMP PROBE SPECTROSCOPY (2 HOURS). FORSTER AND DEXTER ENERGY TRANSFER (2 HOURS). CHARGE TRANSFER: MARCUS THEORY (2 HOURS). THE LASER (2 HOURS). DEVICES BASED ON ORGANIC SEMICONDUCTORS: SOLAR AND PHOTOVOLTAIC CELLS. DSSC AND BULK ETEROJUNCTION CELLS (2 HOURS).

	Teaching Methods
	TEACHING INCLUDES LECTURES 56 HOURS TOTAL (7 CREDITS), NUMERICAL AND PRACTICAL EXERCISES FOR 36 HOURS (3 CREDITS) AND LABORATORY 24 HOURS (2 CREDITS). THE CLASSROOM ATTENDANCE IS STRONGLY RECOMMENDED AND THAT OF LABORATORY EXERCISES IS MANDATORY. TO BE ABLE TO ACCESS TO THE FINAL EXAM, STUDENTS MUST HAVE ATTENDED AT LEAST 75% OF THE EXPECTED LABORATORY HOURS. THE ATTENDANCE VERIFICATION MODE IS ANNOUNCED BY THE TEACHER AT THE BEGINNING OF THE COURSE.

Teaching Methods

TEACHING INCLUDES LECTURES 56 HOURS TOTAL (7 CREDITS), NUMERICAL AND PRACTICAL EXERCISES FOR 36 HOURS (3 CREDITS) AND LABORATORY 24 HOURS (2 CREDITS). THE CLASSROOM ATTENDANCE IS STRONGLY RECOMMENDED AND THAT OF LABORATORY EXERCISES IS MANDATORY. TO BE ABLE TO ACCESS TO THE FINAL EXAM, STUDENTS MUST HAVE ATTENDED AT LEAST 75% OF THE EXPECTED LABORATORY HOURS. THE ATTENDANCE VERIFICATION MODE IS ANNOUNCED BY THE TEACHER AT THE BEGINNING OF THE COURSE.

	Verification of learning
	THE ACHIEVEMENT OF THE TEACHING OBJECTIVES IS CERTIFIED BY PASSING AN UNIVERSITY SCHEDULED EXAMINATION SCORED FROM 0-30. THE FINAL TEST CONSISTS OF AN ORAL EXAM. ACCESS TO ORAL EXAMINATION IS ALLOWED ONLY AFTER DELIVERING WRITTEN REPORTS OF THE LAB WORKS. THE ORAL TEST STARTS WITH A QUESTION ON THE LAB ACTIVITY MADE BY THE STUDENT, FOLLOWED BY AN INTERVIEW WITH QUESTIONS AND DISCUSSIONS ON THEORETICAL AND METHODOLOGICAL CONTENT LISTED IN THE TEACHING PROGRAM AND IS DESIGNED TO ENSURE THE LEVEL OF KNOWLEDGE AND SKILL UNDERSTANDING REACHED BY THE STUDENT, AS WELL AS TESTING THE EXPOSURE CAPACITY BY USING THE APPROPRIATE TERMINOLOGY AND THE ABILITY TO AUTONOMOUSLY ORGANIZE EXPOSURE OF THE TEACHING CONTENT.

Verification of learning

THE ACHIEVEMENT OF THE TEACHING OBJECTIVES IS CERTIFIED BY PASSING AN UNIVERSITY SCHEDULED EXAMINATION SCORED FROM 0-30. THE FINAL TEST CONSISTS OF AN ORAL EXAM. ACCESS TO ORAL EXAMINATION IS ALLOWED ONLY AFTER DELIVERING WRITTEN REPORTS OF THE LAB WORKS. THE ORAL TEST STARTS WITH A QUESTION ON THE LAB ACTIVITY MADE BY THE STUDENT, FOLLOWED BY AN INTERVIEW WITH QUESTIONS AND DISCUSSIONS ON THEORETICAL AND METHODOLOGICAL CONTENT LISTED IN THE TEACHING PROGRAM AND IS DESIGNED TO ENSURE THE LEVEL OF KNOWLEDGE AND SKILL UNDERSTANDING REACHED BY THE STUDENT, AS WELL AS TESTING THE EXPOSURE CAPACITY BY USING THE APPROPRIATE TERMINOLOGY AND THE ABILITY TO AUTONOMOUSLY ORGANIZE EXPOSURE OF THE TEACHING CONTENT.

	Texts
	"ELECTRONIC PROCESSES IN ORGANIC SEMICONDUCTORS" A. KÖHLER, H. BÄSSLER, 2015 WILEY-VCH "ELECTRONIC STRUCTURE OF MATERIALS" A.P. SUTTON (OXFORD SCIENCE PUBLICATIONS) "ELECTRONS IN MOLECULES - FROM BASIC PRINCIPLES TO MOLECULAR ELECTRONICS" J.-P. LAUNAY, M. VERDAGUER, OXFORD UNIVERSITY PRESS ADRIAN KITAI, "PRINCIPLES OF SOLAR CELLS, LEDS AND DIODES THE E ROLE OF THE PN JUNCTION"

	More Information
	TEACHING IS KEPT ALMOST ENTIRELY ON THE CHALKBOARD TO ALLOW THE STUDENTS TO FOLLOW IT MORE CLOSELY; SLIDES WILL BE PROJECTED ONLY OCCASIONALLY. LECTURE NOTES ARE AVAILABLE FOR SPECIFIC TOPICS.

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Amedeo CAPOBIANCO | ELECTRO-OPTICAL DEVICES FOR SUSTAINABLE DEVELOPMENT