List of works - Maurizia Palummo

A Scalable Method for Thickness and Lateral Engineering of 2D Materials

scientific article published on 18 March 2020

Ab Initio Electronic Gaps of Ge Nanodots: The Role of Self-Energy Effects

Ab initio electronic and optical spectra of free-base porphyrins: The role of electronic correlation

scientific article published in August 2009

Ab initio investigation of the adsorption of organic molecules at Si(111) and Si(100) surfaces

Ab initio optical properties of BN in the cubic and in the layered hexagonal phase

Ab initio studies of the optoelectronic structure of undoped and doped silicon nanocrystals and nanowires: the role of size, passivation, symmetry and phase

scientific article published on 28 February 2020

Ab initiocalculation of many-body effects on the EEL spectrum of the C(100) surface

scholarly article in Physical Review B, vol. 74 no. 23, December 2006

Ab initiooptoelectronic properties of SiGe nanowires: Role of many-body effects

scholarly article in Physical Review B, vol. 82 no. 7, August 2010

Ab-initio optical spectra of complex systems

Ab-initio study of the adsorption of acetylene on Si(001) surface

Band structure analysis in SiGe nanowires

Coexistence of Negatively and Positively Buckled Isomers onn+-DopedSi(111)−2×1

scientific article published in Physical Review Letters

Convergence study of neutral and charged defect formation energies in Si nanowires

scholarly article in Physical Review B, vol. 81 no. 23, June 2010

Correlation effects in the optical spectra of porphyrin oligomer chains: exciton confinement and length dependence

scientific article published in January 2013

Early oxidation stages of the strained Ge/Si(105) surface: A reflectance anisotropy spectroscopy study

Electronic and optical properties of Si and Ge nanocrystals: An ab initio study

Electronic and optical properties of acetylene and ethylene on Si(001)

Electronic and optical properties of pure and modified diamondoids studied by many-body perturbation theory and time-dependent density functional theory

scientific article

Electronic properties and dielectric response of surfaces and nanowires of silicon from ab-initio approaches

Exciton radiative lifetimes in two-dimensional transition metal dichalcogenides

scientific article published on 31 March 2015

Excitons at the (001) surface of anatase: Spatial behavior and optical signatures

scholarly article in Physical Review B, vol. 84 no. 7, August 2011

Excitons in germanium nanowires: Quantum confinement, orientation, and anisotropy effects within a first-principles approach

scholarly article by Mauro Bruno et al published 21 October 2005 in Physical Review B

Experimental and theoretical investigation of the pyrrole/Al(100) interface

scientific article published in December 2009

Extraordinary Sunlight Absorption and One Nanometer Thick Photovoltaics Using Two-Dimensional Monolayer Materials

scientific article published on 10 July 2013

First-Principles Nonequilibrium Green's Function Approach to Ultrafast Charge Migration in Glycine

scientific article published on 31 July 2019

First-principles optical spectra of low dimensional systems

From Si Nanowires to Porous Silicon: The Role of Excitonic Effects

scientific article published in Physical Review Letters

Geometry and electronic band structure of surfaces: the case of Ge(111):Sn and C(111)

Giant excitonic exchange splitting in Si nanowires: First-principles calculations

scholarly article in Physical Review B, vol. 81 no. 12, March 2010

Halide Pb-Free Double–Perovskites: Ternary vs. Quaternary Stoichiometry

scientific article published on 8 July 2020

Hydrogen covered Si(111) surfaces

Interlayer Bound Wannier Excitons in Germanium Sulfide

scientific article published on 12 August 2020

Intermixing and buried interfacial structure in strained Ge/Si(105) facets

scholarly article in Physical Review B, vol. 88 no. 19, November 2013

Many-body effects on the electronic and optical properties of Si nanowires from ab initio approaches

Nature of the Electronic and Optical Excitations of Ruddlesden-Popper Hybrid Organic-Inorganic Perovskites: The Role of the Many-Body Interactions

Novel optoelectronic properties of simultaneously n- and p-doped silicon nanostructures

Optical Properties of Lead-Free Double Perovskites by Ab Initio Excited-State Methods ⬇️

scholarly article

Optical absorption modulation by selective codoping of SiGe core-shell nanowires

Optical absorption of Tl+ ions in KMgF3 crystals

Optical properties of (F2+)HandF-aggregate centers in NaCl:OH−crystals

scientific article published on 01 December 1991

Optical properties of the long-range Si(110)-(16 × 2) reconstruction from first principles

Optoelectronic Properties in Monolayers of Hybridized Graphene and Hexagonal Boron Nitride

scientific article published in Physical Review Letters

Probing Two-Dimensional vs Three-Dimensional Molecular Aggregation in Metal-Free Tetraphenylporphyrin Thin Films by Optical Anisotropy

Reduced quantum confinement effect and electron-hole separation in SiGe nanowires

scholarly article in Physical Review B, vol. 79 no. 20, May 2009

Reflectance Anisotropy Spectra of the Diamond(100)−(2×1)Surface: Evidence of Strongly Bound Surface State Excitons

scientific article published in Physical Review Letters

Reflectance-anisotropy spectroscopy and surface differential reflectance spectra at the Si(100) surface: Combined experimental and theoretical study

scholarly article in Physical Review B, vol. 79 no. 3, January 2009

Screening models and simplified GW approaches: Si & GaN as test cases

Segregation, quantum confinement effect and band offset for [110] SiGe NWs

Semiconducting Monolayer Materials as a Tunable Platform for Excitonic Solar Cells

scientific article published on 18 October 2012

SiGe nanowires: Structural stability, quantum confinement, and electronic properties

scholarly article in Physical Review B, vol. 80 no. 23, December 2009

Silicon and Germanium Nanostructures for Photovoltaic Applications: Ab-Initio Results

scientific article (publication date: 18 July 2010)

Silicon-germanium nanowires: chemistry and physics in play, from basic principles to advanced applications.

scientific article

Stable Alignment of Tautomers at Room Temperature in Porphyrin 2D Layers

article published in 2013

Strongly bound excitons in anatase TiO2 single crystals and nanoparticles

scientific article published on 13 April 2017

Structural and Optical Properties of the Ge(111)-(2×1) Surface

scientific article published in Physical Review Letters

Tailoring the optical properties of MoS2 and WS2 single layers via organic functionalization

scientific article published on 04 March 2019

Test of long-range exchange-correlation kernels of time-dependent density functional theory at surfaces: Application toSi(111)2×1

scholarly article in Physical Review B, vol. 82 no. 20, November 2010

The Bethe–Salpeter equation: a first-principles approach for calculating surface optical spectra

The Nature of Radiative Transitions in TiO2-Based Nanosheets

article published in 2012

The electronic structure of gallium nitride

scholarly article by Maurizia Palummo et al published April 1993 in Physica B

Theory and Ab Initio Computation of the Anisotropic Light Emission in Monolayer Transition Metal Dichalcogenides

scientific article published on 22 May 2018

List of works by Maurizia Palummo

A Scalable Method for Thickness and Lateral Engineering of 2D Materials

Ab Initio Electronic Gaps of Ge Nanodots: The Role of Self-Energy Effects

Ab initio electronic and optical spectra of free-base porphyrins: The role of electronic correlation

Ab initio investigation of the adsorption of organic molecules at Si(111) and Si(100) surfaces

Ab initio optical properties of BN in the cubic and in the layered hexagonal phase

Ab initio studies of the optoelectronic structure of undoped and doped silicon nanocrystals and nanowires: the role of size, passivation, symmetry and phase

Ab initiocalculation of many-body effects on the EEL spectrum of the C(100) surface

Ab initiooptoelectronic properties of SiGe nanowires: Role of many-body effects

Ab-initio optical spectra of complex systems

Ab-initio study of the adsorption of acetylene on Si(001) surface

Band structure analysis in SiGe nanowires

Coexistence of Negatively and Positively Buckled Isomers onn+-DopedSi(111)−2×1

Convergence study of neutral and charged defect formation energies in Si nanowires

Correlation effects in the optical spectra of porphyrin oligomer chains: exciton confinement and length dependence

Early oxidation stages of the strained Ge/Si(105) surface: A reflectance anisotropy spectroscopy study

Electronic and optical properties of Si and Ge nanocrystals: An ab initio study

Electronic and optical properties of acetylene and ethylene on Si(001)

Electronic and optical properties of pure and modified diamondoids studied by many-body perturbation theory and time-dependent density functional theory

Electronic properties and dielectric response of surfaces and nanowires of silicon from ab-initio approaches

Exciton radiative lifetimes in two-dimensional transition metal dichalcogenides

Excitons at the (001) surface of anatase: Spatial behavior and optical signatures

Excitons in germanium nanowires: Quantum confinement, orientation, and anisotropy effects within a first-principles approach

Experimental and theoretical investigation of the pyrrole/Al(100) interface

Extraordinary Sunlight Absorption and One Nanometer Thick Photovoltaics Using Two-Dimensional Monolayer Materials

First-Principles Nonequilibrium Green's Function Approach to Ultrafast Charge Migration in Glycine

First-principles optical spectra of low dimensional systems

From Si Nanowires to Porous Silicon: The Role of Excitonic Effects

Geometry and electronic band structure of surfaces: the case of Ge(111):Sn and C(111)

Giant excitonic exchange splitting in Si nanowires: First-principles calculations

Halide Pb-Free Double–Perovskites: Ternary vs. Quaternary Stoichiometry

Halide Pb-Free Double–Perovskites: Ternary vs. Quaternary Stoichiometry

Hydrogen covered Si(111) surfaces

Interlayer Bound Wannier Excitons in Germanium Sulfide

Intermixing and buried interfacial structure in strained Ge/Si(105) facets

Many-body effects on the electronic and optical properties of Si nanowires from ab initio approaches

Nature of the Electronic and Optical Excitations of Ruddlesden-Popper Hybrid Organic-Inorganic Perovskites: The Role of the Many-Body Interactions

Novel optoelectronic properties of simultaneously n- and p-doped silicon nanostructures

Optical Properties of Lead-Free Double Perovskites by Ab Initio Excited-State Methods ⬇️

Optical absorption modulation by selective codoping of SiGe core-shell nanowires

Optical absorption of Tl+ ions in KMgF3 crystals

Optical properties of (F2+)HandF-aggregate centers in NaCl:OH−crystals

Optical properties of the long-range Si(110)-(16 × 2) reconstruction from first principles

Optoelectronic Properties in Monolayers of Hybridized Graphene and Hexagonal Boron Nitride

Probing Two-Dimensional vs Three-Dimensional Molecular Aggregation in Metal-Free Tetraphenylporphyrin Thin Films by Optical Anisotropy

Reduced quantum confinement effect and electron-hole separation in SiGe nanowires

Reflectance Anisotropy Spectra of the Diamond(100)−(2×1)Surface: Evidence of Strongly Bound Surface State Excitons

Reflectance-anisotropy spectroscopy and surface differential reflectance spectra at the Si(100) surface: Combined experimental and theoretical study

Screening models and simplified GW approaches: Si & GaN as test cases

Segregation, quantum confinement effect and band offset for [110] SiGe NWs

Semiconducting Monolayer Materials as a Tunable Platform for Excitonic Solar Cells

SiGe nanowires: Structural stability, quantum confinement, and electronic properties

Silicon and Germanium Nanostructures for Photovoltaic Applications: Ab-Initio Results

Silicon-germanium nanowires: chemistry and physics in play, from basic principles to advanced applications.

Stable Alignment of Tautomers at Room Temperature in Porphyrin 2D Layers

Strongly bound excitons in anatase TiO2 single crystals and nanoparticles

Structural and Optical Properties of the Ge(111)-(2×1) Surface

Tailoring the optical properties of MoS2 and WS2 single layers via organic functionalization

Test of long-range exchange-correlation kernels of time-dependent density functional theory at surfaces: Application toSi(111)2×1

The Bethe–Salpeter equation: a first-principles approach for calculating surface optical spectra

The Nature of Radiative Transitions in TiO2-Based Nanosheets

The electronic structure of gallium nitride

Theory and Ab Initio Computation of the Anisotropic Light Emission in Monolayer Transition Metal Dichalcogenides

Theory of dielectric screening and electron energy loss spectroscopy at surfaces

Two-dimensional optical excitations in the mixed-valence Cs2Au2I6 fully inorganic double perovskite

Understanding doping at the nanoscale: the case of codoped Si and Ge nanowires

VUV excitation levels of Cr3+ luminescence in indium fluoride garnet