Publications by authors named "Neubi F Xavier Jr"

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Toward Zero-Excess Alkali Metal Batteries: Bridging Experimental and Computational Insights.
Pan He, Neubi Francisco Xavier, Matthias Johannes Golomb, Yupei Han, Yuheng Du

Adv Mater· November 2025

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Understanding water behaviour on 2D material interfaces through single-molecule motion on h-BN and graphene.
Phillip Seiler, Anthony J R Payne, Neubi F Xavier, Louie Slocombe, Marco Sacchi

Nat Commun· November 2025

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Ultralow Overpotential in Rechargeable Li-CO Batteries Enabled by Caesium Phosphomolybdate as an Effective Redox Catalyst.
Mahsa Masoudi, Neubi F Xavier, James Wright, Thomas M Roseveare, Steven Hinder

Adv Sci (Weinh)· July 2025

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Unravelling the Epitaxial Growth Mechanism of Hexagonal and Nanoporous Boron Nitride: A First-Principles Microkinetic Model.
Anthony J R Payne, Neubi F Xavier Jr, Anton Tamtögl, Marco Sacchi

Small· March 2025

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Anti-icing properties of polar bear fur.
Julian Carolan, Martin Jakubec, Neubi F Xavier, Adam Pestana Motala, Ersilia Bifulco

Sci Adv· January 2025

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Theoretical insights into the methane catalytic decomposition on graphene nanoribbons edges.
Neubi F Xavier, Anthony J R Payne, Glauco F Bauerfeldt, Marco Sacchi

Front Chem· June 2023

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First-Principles Microkinetic Modeling Unravelling the Performance of Edge-Decorated Nanocarbons for Hydrogen Production from Methane.
Neubi F Xavier, Glauco F Bauerfeldt, Marco Sacchi

ACS Appl Mater Interfaces· February 2023

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How does tuning the van der Waals bonding strength affect adsorbate structure?
Philipp Maier, Neubi F Xavier, Chris L Truscott, Thomas Hansen, Peter Fouquet

Phys Chem Chem Phys· December 2022

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Supercell calculations of the geometry and lattice energy of α-glycine crystal.
Neubi F Xavier, Antônio M Da Silva, Glauco Favilla Bauerfeldt

J Mol Model· July 2019

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