Nicola Seriani

The Abdus Salam International Centre for Theoretical Physics (ICTP) — Italy

Materials Science · Physical Sciences

31h-index3.0kcitations121works3.42yr avg
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Research Topics

Catalytic Processes in Materials Science(27), Iron oxide chemistry and applications(21), Advanced Photocatalysis Techniques(18), Copper-based nanomaterials and applications(18), Advanced Chemical Physics Studies(17)

Publications121 total

Unveiling the origin of the capacity fade in MnO$_{2}$ zinc-ion battery cathodes through an analysis of the Mn vacancy formation
arXiv (Cornell University)·2026Open Access
Unveiling the origin of the capacity fade in MnO$_{2}$ zinc-ion battery cathodes through an analysis of the Mn vacancy formation
ArXiv.org·2026Open Access
Polarization-Dominated Exciton Behavior of the MoSSe/GaN Heterostructure under Strain: A First-Principles Study
The Journal of Physical Chemistry C·2026
Efficient development of a neural network potential for pure silica zeolites
Physical Chemistry Chemical Physics·2026
The Unique Polaron Behavior at Anatase TiO <sub>2</sub> (101) Surfaces under Water Modification: A Constrained Density Functional Theory Study
The Journal of Physical Chemistry C·2025
Generalized Mott–Schottky Analysis of Photoelectrodes
The Journal of Physical Chemistry C·2025· 1 cited
Impact of hematite surface magnetic configurations and strain on O2 adsorption
The European Physical Journal B·2025
Computational Simulations and Strategies for Optimal Hydrogen Storage Materials Design
PRX Energy·2025· 8 citedOpen Access
Excellent self-assembly properties of Iron Phthalocyanines on alumina for locally ordered single-atom catalysts
Physics Open·2025· 2 citedOpen Access
Synergistic insights into the tungsten–tantalum-vacancy system: A DFT-cluster expansion study
Computational Materials Science·2025· 3 cited
Tuning Oxygen Partial Pressure in RF Magnetron Sputtering to Suppress Trap States and Boost Charge Kinetics in BiVO4 Photoanodes
SSRN Electronic Journal·2025Open Access
Exploring the potential of 2D beryllonitrene as a lithium-ion battery anode: a theoretical study
Physical Chemistry Chemical Physics·2025· 9 cited
Novel exciton behavior in low-dimensional polarized MoSSe/GaN heterostructures: A first-principles study
Physical Review Materials·2024· 2 cited
Electronic and optical properties of InSe/CuI van der Waals heterostructure with type-II band alignment: Effects of vertical strain and electric field
Materials Today Communications·2024· 5 cited
Uniaxial Tensile-Induced Phase Transition in Graphynes
The Journal of Physical Chemistry C·2024· 2 cited
Disparity of carriers in polarized <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline" overflow="scroll"><mml:mrow><mml:mi>Ga</mml:mi><mml:mi>Se</mml:mi></mml:mrow><mml:mo>/</mml:mo><mml:mi>WSSe</mml:mi></mml:math> heterostructures: A first-principles study
Physical Review Applied·2024· 5 cited
Origin and properties of the flat band in monolayer <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:msub><mml:mi>NbOCl</mml:mi><mml:mn>2</mml:mn></mml:msub></mml:math>
Physical review. B./Physical review. B·2024· 13 cited
Origin and properties of the flat band in NbOCl2 monolayer
arXiv (Cornell University)·2024· 1 citedOpen Access
Quantitative Analysis of the Synergy of Doping and Nanostructuring of Oxide Photocatalysts
Materials·2024· 1 citedOpen Access
DFT study of the role and possible contribution of defects to lithium metasilicate <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si1.svg"><mml:mrow><mml:mo stretchy="true">(</mml:mo><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="bold-italic">L</mml:mi><mml:mi mathvariant="bold-italic">i</mml:mi></mml:mrow><mml:mn mathvariant="bold">2</mml:mn></mml:msub><mml:mi mathvariant="bold-italic">S</mml:mi><mml:mi mathvariant="bold-italic">i</mml:mi><mml:msub><mml:mi mathvariant="bold-italic">O</mml:mi><mml:mn mathvariant="bold">3</mml:mn></mml:msub></mml:mrow><mml:mo stretchy="true">)</mml:mo></mml:mrow></mml:math> luminescence
Journal of Solid State Chemistry·2024· 6 cited
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Frequent Co-authors

Ralph Gebauer(10), Manh‐Thuong Nguyen(7), Florian Mittendorfer(7), Georg Kresse(7), W. Pompe(6), Lucio Colombi Ciacchi(6), M. Bobeth(6), Simone Piccinin(5), Arezoo Dianat(5), Anders Mikkelsen(4), Edvin Lundgren(4), Michael Schmid(4), Yanier Crespo(4), Utpal Sarkar(4), Kanchan Ulman(4), П. Варга(3), Gianaurelio Cuniberti(3), Carlos Pinilla(3), Rasmus Westerström(3), Barnali Bhattacharya(3)