Skip to content
DraconiticResearch
Search Sources API
203,234 studies31 sourcesUpdated 48 min ago
Peer-reviewedCC BY 4.0Nano Letters

Excitonic Physics in Emerging 2D Semiconductors: A First-Principles Many-Body Perspective from Photodetection to Solar Energy Conversion

  • Michele Re Fiorentin1
  • Simone Grillo2
  • Fulvio Paleari3
  • Olivia Pulci4
  • Daniele Varsano3
  • Maurizia Palummo4
4 affiliations
  1. 1Department of Applied Science and Technology, Politecnico di Torino, corso Duca degli Abruzzi 24, 10129 Torino, Italy
  2. 2Max Planck Institute for the Structure and Dynamics of Matter (MPSD) and Center for Free-Electron Laser Science (CFEL), 22761 Hamburg, Germany
  3. 3Istituto Nanoscienze − CNR, S3, via G. Campi 213/A, 41125 Modena, Italy
  4. 4Dipartimento di Fisica and INFN, Università di Roma “Tor Vergata”, via della Ricerca Scientifica 1, 00133 Roma, Italy
Read full textPDFDOICite

Abstract

Chemically and structurally diverse two-dimensional semiconductors exhibit a broad range of excitonic and optical phenomena that have direct implications for optoelectronic functionality. We examine these materials from a first-principles many-body perspective, emphasizing the connection between microscopic excitonic structure and optoelectronic functionality. Reduced symmetry and orbital character produce polarization-selective absorption, while dimensionality, dielectric screening, and exciton fine structure govern binding energies and radiative behavior. In layered systems, interlayer electrostatics and type-II band alignment promote charge separation, whereas exciton–phonon coupling activates indirect optical transitions and shapes temperature-dependent spectra. These mechanisms establish common design principles for excitonic engineering, whereby the dielectric environment, crystal geometry, lattice dynamics, and stacking are used to control exciton properties and tailor optical functionality. This perspective moves beyond description toward the ab initio prediction and design of emerging 2D materials for targeted optoelectronic applications, including polarization-sensitive photodetection and ultrathin solar-energy conversion.

Related

  1. Engineering optoelectronic and excitonic properties in carbon quantum dots via defect encoding: a first-principles study
    Christian Ebere Enyoh, Qingyue Wang
    Computational Materials SciencePeer-reviewedLicence not statedFull text6 citedMaterials & polymersOpenAlex
  2. Empirical approaches to Fröhlich excitonic polarons in polar semiconductors
    Jacky Even, Simon Thebaud, Aseem Kshirsagar +4
    Journal of Physics: Condensed MatterPeer-reviewedCC BYFull textTheoretical & computational chemistryHAL
  3. A-site cation engineering of lead-free M2NiCl6 (M = Na, K, Cs) vacancy-ordered double perovskites: first-principles insights into stability, band-gap tuning, excitonic behavior, and optical response
    Md. Hasan Mia, Md. Abdul Momin, Arka Deb Nath +4
    RSC AdvancesPeer-reviewedCC BY-NC 3.0Full textGeneral chemistryPMC
  4. First-principles Approach to Ultrafast Pump-probe Spectroscopy in Semiconductors
    Lu Qiao, Ronaldo Rodrigues Pelá, Claudia Draxl
    npj Computational MaterialsPeer-reviewedCC BYFull text6 citedMaterials & polymersOpenAlex
  5. First-principles optical response of shock-compressed LiF: Quasiparticle, excitonic, and ionic-temperature effects
    M. S. Fadeev
    arXivPreprintCC BY-NC-ND 4.0Full textPhysical chemistryComputational physicsarXiv

Cite

BibTeXRIS
BibTeX
@article{fiorentin2026excitonic,
  title = {{Excitonic Physics in Emerging 2D Semiconductors: A First-Principles Many-Body Perspective from Photodetection to Solar Energy Conversion}},
  author = {Michele Re Fiorentin and Simone Grillo and Fulvio Paleari and Olivia Pulci and Daniele Varsano and Maurizia Palummo},
  journal = {Nano Letters},
  year = {2026},
  month = oct,
  doi = {10.1021/acs.nanolett.6c03735},
  url = {https://doi.org/10.1021/acs.nanolett.6c03735},
  note = {CC BY 4.0},
}
RIS
TY  - JOUR
TI  - Excitonic Physics in Emerging 2D Semiconductors: A First-Principles Many-Body Perspective from Photodetection to Solar Energy Conversion
AU  - Michele Re Fiorentin
AU  - Simone Grillo
AU  - Fulvio Paleari
AU  - Olivia Pulci
AU  - Daniele Varsano
AU  - Maurizia Palummo
PY  - 2026
DA  - 2026/10/12
JO  - Nano Letters
DO  - 10.1021/acs.nanolett.6c03735
UR  - https://doi.org/10.1021/acs.nanolett.6c03735
AB  - Chemically and structurally diverse two-dimensional semiconductors exhibit a broad range of excitonic and optical phenomena that have direct implications for optoelectronic functionality. We examine these materials from a first-principles many-body perspective, emphasizing the connection between microscopic excitonic structure and optoelectronic functionality. Reduced symmetry and orbital character produce polarization-selective absorption, while dimensionality, dielectric screening, and exciton fine structure govern binding energies and radiative behavior. In layered systems, interlayer electrostatics and type-II band alignment promote charge separation, whereas exciton–phonon coupling activates indirect optical transitions and shapes temperature-dependent spectra. These mechanisms establish common design principles for excitonic engineering, whereby the dielectric environment, crystal geometry, lattice dynamics, and stacking are used to control exciton properties and tailor optical functionality. This perspective moves beyond description toward the ab initio prediction and design of emerging 2D materials for targeted optoelectronic applications, including polarization-sensitive photodetection and ultrathin solar-energy conversion.
SN  - 1530-6984
SN  - 1530-6992
ER  -