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Bernardo Barbiellini

Full Professor of Computational Materials Science

Lappeenranta University of Technology

Finland

Research Interests

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Professors in Finland Professors in Condensed Matter Physics Condensed Matter Physics professors in Finland

About

Bernardo Barbiellini is a Full Professor of Computational Materials Science at Lappeenranta University of Technology. His research focuses on the dynamics of quantum systems, magnetic properties of materials, and first-principles modeling of semiconductor transitions. He has contributed significantly to the study of atomic structures in amorphous alloys and the optimization of photocatalytic materials, among other areas. His work utilizes advanced techniques such as synchrotron radiation x-ray diffraction and positron annihilation spectroscopy.

Articles (28)

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Collaborators (23)

Sugata Chowdhury

Associate Professor

Howard University

UNITED STATES

Bernardo Barbiellini

Research Interests

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About

Articles (28)

Sodium and oxygen site doping strategies for layered transition metal oxide cathode materials in sodium-ion batteries

Probing Electron Transfer Orbitals Selectively at LiCoO2/C Cathode Interfaces via Positron Annihilation Spectroscopy

Metal–Organic Framework Flexibility Boosting Atmospheric Water Harvesting by a Zinc-Based Glycine–Glyoxime–Histidine Framework

Accurate Electron-Phonon Interactions from Advanced Density Functional Theory

Structural Changes and Oxygen Dimerization in Li-Rich Layered Oxide Cathodes: An Atomic-Scale Study

Accelerating materials discovery for water crisis: Multi-objective machine learning for atmospheric water harvesting by MOFs

Dynamics of time-modulated quantum systems via integrated Lindblad and Maxwell–Bloch equations

Magnetic properties of polyacetylene: Exploring electronic correlation effects through first-principles modeling

Nevanlinna Analytical Continuation of the Central Charge in 2D Conformal Field Theory

Local atomic structure of amorphous Fe81−xCoxNb7B12 alloys using synchrotron radiation x-ray diffraction and pair-distribution function analysis

Probing the semiconductor–Dirac-semimetal transition in Na-Sb-Bi alloys with x-ray Compton scattering

First-principles study of positron interface states in graphene-stacked LiCoO2 Cathodes

Plasmon-induced resonant energy transfer and flat band formation in Fe and Co doped Ni(ii) hydroxide for efficient photocatalytic oxygen evolution

Plasmon-induced resonant energy transfer and flat band formation in Fe and Co doped Ni(<scp>ii</scp>) hydroxide for efficient photocatalytic oxygen evolution

Magnetism-enhanced strong electron-phonon coupling in infinite-layer nickelates

Positron unveiling high mobility graphene stack interfaces in Li-ion cathodes

Understanding and optimizing the sensitization of anatase titanium dioxide surface with hematite clusters

Emergence of Competing Stripe Phases in Undoped Infinite-Layer Nickelates

A Positron Implantation Profile Estimation Approach for the PALS Study of Battery Materials

Nanoscale phenomena during wetting of copper on nickel-based superalloy: A molecular dynamics study

Application of molecular docking simulation to screening of metal–organic frameworks

Atomic Structure of Mn-Doped CoFe2O4 Nanoparticles for Metal–Air Battery Applications

Anodic Potential and Conversion Chemistry of Anhydrous Iron (II) Oxalate in Na-Ion Batteries

Critical role of magnetic moments in the lattice dynamics of YBa2Cu3O6

First-Principles Perspective on Gas Adsorption by [Fe4S4]-Based Metal–Organic Frameworks

First Principles Calculations of the Optical Response of LiNiO2

Effect of Disorder and Doping on Electronic Structure and Diffusion Properties of Li3V2O5

Photoemission Spectroscopy Using Virtual Photons Emitted by Positron Sticking: A Complementary Probe for Top-Layer Surface Electronic Structures

Collaborators (23)

Sugata Chowdhury

Vito Di Noto

Arun Bansil

Ulla Lassi

Saeed Kamali

Rafael Omar Ferragut

Dirk Lamoen

Hiroshi Sakurai

Assa Aravindh Devi

Aki Pulkkinen

Sijia Dong

Ilja Makkonen

Parisa Nematollahi

Zeeshan Ahmad

Gioele Pagot

Ekaterina Laakso

Jianwei Sun

Wei-Chi Chiu

Jakob Gamper

Georg Kresse

Sanjeev Mukerjee

HEMANTHA KUMAR YEDDU

Venkatasubramanian Viswanathan

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