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Nanoscale Advances|February 20, 2025
How can we engineer electronic transitions through twisting and stacking in TMDC bilayers and heterostructures? a first-principles approachYu-Hsiu Lin, William P Comaskey, Jose L Mendoza-CortesPhysical Chemistry Chemical Physics : PCCP|January 2, 2026
A first-principles theoretical study on two-dimensional MX and MX2 metal halides: bandgap engineering, magnetism, and catalytic descriptorsYu-Hsiu Lin, Daniel Maldonado-Lopez, Jose L Mendoza-CortesPhysical Chemistry Chemical Physics : PCCP|April 11, 2019
Intercalation of first row transition metals inside covalent-organic frameworks (COFs): a strategy to fine tune the electronic properties of porous crystalline materialsSrimanta Pakhira, Jose L Mendoza-CortesThe Journal of Physical Chemistry. A|March 15, 2023
Thermodynamics, Kinetics, and Optical Properties of Rotaxane: A First-Principles Molecular Dynamics StudyGourhari Jana, Jose L Mendoza-CortesJournal of the American Chemical Society|October 30, 2016
Design Principles for High H2 Storage Using Chelation of Abundant Transition Metals in Covalent Organic Frameworks for 0-700 bar at 298 KYohanes Pramudya, Jose L Mendoza-CortesJournal of Chemical Theory and Computation|July 2, 2025
Does Hessian Data Improve the Performance of Machine Learning Potentials?Austin Rodriguez, Justin S Smith, Jose L Mendoza-CortesThe Journal of Chemical Physics|February 17, 2018
Dirac cone in two dimensional bilayer graphene by intercalation with V, Nb, and Ta transition metalsSrimanta Pakhira, Kevin P Lucht, Jose L Mendoza-CortesACS Applied Materials & Interfaces|March 28, 2018
General Theory of Absorption in Porous Materials: Restricted Multilayer TheoryAlexander A Aduenko, Andy Murray, Jose L Mendoza-CortesThe Journal of Physical Chemistry. A|October 14, 2011
Design of covalent organic frameworks for methane storageJose L Mendoza-Cortes, Tod A Pascal, William A GoddardThe Journal of Physical Chemistry Letters|August 22, 2015
A Covalent Organic Framework that Exceeds the DOE 2015 Volumetric Target for H2 Uptake at 298 KJose L Mendoza-Cortes, William A Goddard, Hiroyasu Furukawa, et al.Pageof 7