Publications

If you need any of these articles, please email me at mendozaATeng.famu.fsu.edu or mendozaATmagnet.fsu.edu

Journals in which we have published: Science, iScience, Nature Materials, Nature Photonics, Nature Communications, Nature Computational Materials, Physical Reviews, ACS nano, ACS Catalysis, Nano Letters, Nanoscale, Nanoscale Advances, Algorithms, Physical Chemistry Chemical Physics, JACS, Advanced Energy Materials, Advanced Materials Interfaces, Philosophical Transactions of the Royal Society A, Journal of Applied Physics, Energy and Fuels, Physica Scripta, J. Chemical Physics, Journal of Physical Chemistry, Journal of Computational Chemistry, Chem. Comm., Polymer Chemistry, ChemSocRev, to name a few.

Selected Recent Publications

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Check the Google Scholar or ORCID Profile above for a current list 

At MSU

64. A first-principles theoretical study on two-dimensional MX and MX2 metal halides: bandgap engineering, magnetism, and catalytic descriptors
Y. Lin, D. Maldonado-Lopez, J.L. Mendoza-Cortes*,
Physical Chemistry Chemical Physics
2025, Advance Article
Full Article

63. Enhanced Antibacterial Efficacy of Copper Single-Atom Catalysts on a Two-Dimensional Boron Nitride Platform
W. Li, D. Maldonado-Lopez, Y. Zhao, C. Wang, J. Gao, B. Sun, Y. Bai, L. Sun, M. Zhao, H. He, J. Lou, Q. Yu, X. Zhang, V.K. Pandey, F. Kang, M. Terrones, J.L. Mendoza-Cortes*, Y. Lei*,
ACS nano
2025, 19, 50, 42198
Full Article

62. Enhanced Activity in Layered Metal-Oxide-Based Oxygen Evolution Catalysts by Layer-by-Layer Modulation of Metal-Ion Identity
R. Ding, D. Maldonado-Lopez, J.E. Henebry, J.L. Mendoza-Cortes*, M.J. Zdilla*,
ACS Catalysis
2025, 15, 20204
Full Article

61. Terahertz field control of surface topology probed with subatomic resolution
V. Jelic, S. Adams, D. Maldonado-Lopez, I. A. Buliyaminu, M. Hassan, J.L. Mendoza-Cortes*, T. L. Cocker*
Nature Photonics
2025, 1-8
Full Article

60. Impact of Grain Size on Low-Temperature Carrier Phase Coherence Length in Polycrystalline Halide Perovskite Films
A. Sen, L. J. Scanlon, A. M. G. Carranza, J.L. Mendoza-Cortes*, J. Pollanen*, R. R. Lunt*, W. J. Gannon*
Advanced Materials Interfaces
2025, e00567
Full Article

59. Does Hessian Data Improve the Performance of Machine Learning Potentials?
Austin Rodriguez, Justin S. Smith, J.L. Mendoza-Cortes*
Journal of Chemical Theory and Computation
2025, 21, 14, 6698
Full Article

58. How Can We Engineer Electronic Transitions Through Twisting and Stacking in TMDC Bilayers and Heterostructures? A First-Principles Approach
Y.H. Lin, W.P. Comaskey, J.L. Mendoza-Cortes*
Nanoscale Advances
2025, 7, 2047
Full Article

57. Reaction-driven restructuring of defective PtSe2 into ultrastable catalyst for the oxygen reduction reaction
W. Niu, S. Pakhira, G. Cheng, F. Zhao, N. Yao, B.E. Koel*, J.L. Mendoza-Cortes*
Nature Materials
2024, 23, 1704.
Full Article

56. Nitrogen-Containing Surface Ligands Lead to False Positives for Photofixation of N2 on Metal Oxide Nanocrystals: An Experimental and Theoretical Study
D. Maldonado-Lopez, P.-W. Huang, K.R. Sanchez-Lievanos, G. Jana, K. Knowles*, M.C. Hatzell*, JL Mendoza-Cortes*
Advanced Functional Materials
2024, 35 (3), 2413319.
Full Article

55. Beyond lithium-ion batteries: Are effective electrodes possible for alkaline and other alkali elements? Exploring ion intercalation in surface-modified few-layer graphene and examining layer quantity and stages
YH Lin, JL Mendoza-Cortes*
Journal of Applied Physics
2024, 136 (7), 075001.
Full Article

54. Rare isotope-containing diamond colour centres for fundamental symmetry tests
I. M. Morris, K. Klink, Jaideep T. Singh, J. L. Mendoza-Cortes*, S. S. Nicley, J. N. Becker*
Philosophical Transactions of the Royal Society A
2024, 382, 2265.
Full Article

53. Transforming Materials Discovery for Artificial Photosynthesis: High-Throughput Screening of Earth-Abundant Semiconductors
S. M. Stafford, A. Aduenko, M. Djokic, Y. Lin, J. L. Mendoza-Cortes*
Journal of Applied Physics
2023, 134, 235706.
Full Article

52. MultiBinding Sites United in Covalent-Organic Frameworks (MSUCOF) for H2 Storage and Delivery at Room Temperature
M. Djokic, J. L. Mendoza-Cortes*
Energy & Fuels
2024, 38, 5, 4711.
Full Article

51. Exquisite Control of Electronic and Spintronic Properties on Highly Porous Covalent Organic Frameworks (COFs): Transition Metal Intercalation in Bilayers
D. Maldonado-Lopez, J. L. Mendoza-Cortes*
Physica Scripta
2023, 98, 10, 105926.
Full Article

50. Unveiling the mechanisms of epoxide polymerization with N¿Al adduct catalysts: a comprehensive experimental and theoretical investigation
N. Safaie, A. Rodriguez, G. Jana, J. Smak, J. L. Mendoza-Cortes*, Robert C Ferrier Jr.*,
Polymer Chemistry
2023, 14, 3213.
Full Article

49. NMR Magnetic Shielding in Transition Metal Compounds Containing Cadmium, Platinum, and Mercury
A. D. Zapata-Escobar, A. F. Maldonado, J. L. Mendoza-Cortes*, G. A. Aucar*,
Magnetochemistry
2023, 9, 7, 165.
Full Article

48. Recent Advances in 2D Material Theory,Synthesis, Properties, and Applications
Y. Lin, Y. Lin, D. Maldonado-Lopez, J. L. Mendoza-Cortes, et al
ACS Nano
2023, 17, 11, 9694.
Full Article

47. Polychrony as Chinampas
E. Dolores-Cuenca, J. A. Arciniega-Nevarez, A. Nguyen, A. Y. Zou, L. Van Popering, N. Crock, G. Erlebacher, J. L. Mendoza-Cortes*
Journal of Physical Chemistry A
2023, 127, 12, 2671.
Full Article

45. Synergistic Steric and Electronic Effects on the Photoredox Catalysis by a Multivariate Library of Titania Metal--Organic Frameworks
J. T. Bryant, M. W. Logan, Z. Chen, M. Djokic, Amanda J. Morris, J. L. Mendoza-Cortes*, Karena W. Chapman*, and Fernando J. Uribe-Romo*
Journal of the American Chemical Society
2023, 145, 8, 4589.
Full Article

44. Relativistic Quantum Calculations to Understand the Contribution of f-type Atomic Orbitals and Chemical Bonding of Actinides with Organic Ligands
A. Zapata, S. Pakhira, J. Barroso-Flores, G. Aucar*, J. L. Mendoza-Cortes*
Physical Chemistry Chemical Physics
2023, 25, 5592.
Full Article

43. Role of spin currents on electron-electron interaction in the quantum spin Hall phase
W. P. Comaskey, F. Bodo, A. Erba, J. L. Mendoza-Cortes*, J. K Desmarais*
Physical Review B
2022, 106, 20, L201109.
Full Article

42. A Surface Modification Strategy Towards Reversible Na-ion Intercalation on Graphitic Carbon Using Fluorinated Few-Layer Graphene
D. Sarbapalli, Y. Lin, S. Stafford, J. Son, A. Mishra, J. Hui, A. Nijamudheen, A. Romo, Z. T. Gossage, A. M van der Zande, J. L. Mendoza-Cortes*, J. Rodriguez-Lopez*
Journal of The Electrochemical Society
2022, 169, 10, 106522.
Full Article

41. Multi-dimensional designer catalysts for negative emissions science (NES): bridging the gap between synthesis, simulations, and analysis
C. M. Hill*, J. L. Mendoza-Cortes*, J. M. Velazquez*, L. Whittaker-Brooks*
iScience
2022, 1, 25, 103700.
Full Article

40. Ubiquity of cubanes in bioinorganic relevant compounds
A. Bigness, S. Vaddypally, M. J. Zdilla*, J. L. Mendoza-Cortes*
Coordination Chemistry Reviews
2021, 450, 214168.
Full Article

39. Low temperature activation of inert hexagonal boron nitride for metal deposition and single atom catalysis
Y. Lei, S. Pakhira, J. L. Mendoza-Cortes*, M. Terrones*, et al.
Materials Today
2021, 51, 108-116.
Full Article

38. Helical Covalent Polymers with Unidirectional Ion Channels as Single Lithium-Ion Conducting Electrolytes
Y. Hu, N. Dunlap, H. Long, H. Chen, L. J. Wayment, M. Ortiz, A. Nijamudheen, J. L. Mendoza-Cortes, S. Lee, W. Zhang
CCS Chemistry
2021, 3, 2762
Full Article

37. Multi-objective parametrization of interatomic potentials for large deformation pathways and fracture of two-dimensional materials
X. Zhang, H. Nguyen, J. L. Mendoza-Cortes, H. D. Espinosa, et al
npj Computational Materials
2021, 7, 113.
Full Article

36. Rapidly Reversible Organic Crystalline Switch for Conversion of Heat into Mechanical Energy
M. Dharmarwardana, S. Pakhira, J. L. Mendoza-Cortes*, J. J. Gassensmith*, et al
Journal of the American Chemical Society
2021, 143, 15, 5951.
Full Article

35. Nernstian Li+ intercalation into few-layer graphene and its use for the determination of K+ co-intercalation processes
J. Hui, A. Nijamudheen, D. Sarbapalli, J. L. Mendoza-Cortes*, J. Rodriguez-Lopez*, et al
Chemical Science
2021, 12, 559.
Full Article

34. Understanding Disorder in 2D Materials: The Case of Carbon Doping of Silicene
R. Pablo-Pedro, J. L. Mendoza-Cortes*, T. Van Voorhis*, et al
Nano Letters
2020, 20, 9, 6336.
Full Article

33. Impact of Surface Modification on the Lithium, Sodium, and Potassium Intercalation Efficiency and Capacity of Few-Layer Graphene Electrodes
A. Nijamudheen, D. Sarbapalli, J. Hui, J. Rodriguez-Lopez*, J. L. Mendoza-Cortes*
ACS applied materials & interfaces
2020, 12, 14629.
Full Article

32. Quantum Nature in the Interaction of Molecular Hydrogen with Porous Materials: Implications for Practical Hydrogen Storage
S. Pakhira, J. L. Mendoza-Cortes*
Journal of Physical Chemistry C
2020, 124, 11, 6454.
Full Article

At FSU

31. Stabilizing polymer electrolytes in high-voltage lithium batteries
S. Choudhury, Z. Tu, A. Nijamudheen, J.L. Mendoza-Cortes*, L.A. Archer*, et al
Nature Communications
2019, 10, 3091.
Full Article

30. Intercalation of First Row Transition Metals inside Covalent-Organic Frameworks (COFs): A Strategy to Fine Tune the Electronic Properties of Porous Crystalline Materials
S. Pakhira, J. L. Mendoza-Cortes*
Physical Chemistry Chemical Physics
2019, 21, 8785.
Full Article

29. Online Measurement of Glucose Consumption from HepG2 Cells Using an Integrated Bioreactor and Enzymatic Assay
A. G. Adams, R. Bulusu, N. Mukhitov, J. L. Mendoza-Cortes, Michael G. Roper
Analytical. Chemistry
2019, 91, 8, 5184.
Full Article

28. Synthesis and Characterization of Tris-chelate Complexes for Understanding f-Orbital Bonding in Later Actinides
SS Galley, JL Mendoza-Cortes, TE Albrecht-Schmitt, L Gagliardi, and SC Bart, et al
Journal of the American Chemical Society
141 (6), 2356, 2019
Full Article

Modulating Electrocatalysis on Graphene Heterostructures: Physically Impermeable Yet Electronically Transparent Electrodes
Jingshu Hui, Srimanta Pakhira, Richa Bhargava, Zachary J. Barton, Xuan Zhou, Adam J. Chinderle, Jose L. Mendoza-Cortes*, and Joaquin Rodiguez-Lopez*,
ACS NANO
2018, 12 (3), pp 2980-2990, DOI: 10.1021/acsnano.8b00702
Full Article   (Suplemental)

Tuning the Dirac Cone of Bilayer and Bulk Structure Graphene by Intercalating First Row Transition Metals Using First-Principles Calculations
Srimanta Pakhira, Jose L. Mendoza-Cortes*,
JOURNAL OF PHYSICAL CHEMISTRY
2018, 122 (9), pp 4768-4782 DOI: https://doi.org/10.1021/acs.jpcc.7b11761
Full Article   (Suplemental)

Apically Dominant Mechanism for Improving Catalytic Activities of N-Doped Carbon Nanotube Arrays in Rechargeable Zinc-Air Battery
Wenhan Niu, Srimanta Pakhira, Kyle Marcus, Zhao Li, Jose L. Mendoza-Cortes*, Yang Yang*,
ADVANCED ENERGY MATERIALS
2018, 6947-6950 DOI: https://doi.org/10.1002/aenm.201800480
Full Article   (Suplemental)

Framework vs. side-chain amphidynamic behaviour in oligo-(ethylene oxide) functionalised covalent-organic frameworks
Demetrius A. Vazquez-Molina, Giovanna M. Pope, Andrew A. Ezazi, Jose L. Mendoza-Cortes*, James K. Harper* and Fernando J. Uribe-Romo*,
CHEMICAL COMMUNICATIONS
2018, 54, 6947-6950 DOI: https://doi.org/10.1039/c8cc04292f
Full Article   (Suplemental)

Dirac cone in two dimensional bilayer graphene by intercalation with V, Nb, and Ta transition metals
Srimanta Pakhira, Kevin P. Lucht, and Jose L. Mendoza-Cortes*
JOURNAL OF CHEMICAL PHYSICS
2017, 148, 064707, 2018 DOI: https://doi.org/10.1063/1.5008996
Full Article   (Suplemental)

Iron Intercalation in Covalent-Organic Frameworks: A Promising Approach for Semiconductors
Srimanta Pakhira, Kevin P. Lucht, and Jose L. Mendoza-Cortes*
JOURNAL OF PHYSICAL CHEMISTRY
2017, 121, 21160-21170, DOI: 10.1021/acs.jpcc.7b06617
(Download Preprint)   (Download PrePrint SI)

Low-temperature Synthesis of Heterostructures of Transition Metal Dichalcogenide Alloys (WxMo1xS2) and Graphene with Superior Catalytic Performance for Hydrogen Evolution
Yu Lei, Srimanta Pakhira,..., Ruitao Lv*, Jose L. Mendoza-Cortes*, Mauricio Terrones*
ACS NANO
2017, 11, 5103-5112, DOI: 10.1021/acsnano.7b02060
(Download Preprint)   (Download Preprint SI)

Design Principles for High H2 Storage Using Chelation of Abundant Transition Metals in Covalent Organic Frameworks for 0-700 bar at 298 K
Johannes Praya, J. L. Mendoza-Cortes*
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
2016, 138, 15204-15213, DOI: 10.1021/jacs.6b08803
(Download Preprint)   (Download Preprint SI)

Prediction of the crystal packing of di-tetrazine-tetroxide (DTTO) energetic material
Jose L. Mendoza-Cortes, Qi An, William A. Goddard III, Caichao Ye, Sergey Zybin
JOURNAL OF COMPUTATIONAL CHEMISTRY
2016, 37, 2, 163-167. DOI: 10.1002/jcc.23893

Birnessite: A Layered Manganese Oxide To Capture Sunlight for Water-Splitting Catalysis
Kevin P. Lucht, J. L. Mendoza-Cortes*
JOURNAL OF PHYSICAL CHEMISTRY C
2015, 119, 22838-22846, DOI: 10.1021/acs.jpcc.5b07860
(Download Preprint)   (Download Printed Version)

At UCLA, Caltech and UC Berkeley

Prediction of the crystal packing of di-tetrazine-tetroxide (DTTO) energetic material
Jose L. Mendoza-Cortes, Qi An, William A. Goddard III, Caichao Ye, Sergey Zybin
JOURNAL OF COMPUTATIONAL CHEMISTRY
2016, 37, 2, 163-167. DOI: 10.1002/jcc.23893

Visible Light Sensitized CO2 Activation by the Tetraaza [CoIIN4H(MeCN)]2+ Complex Investigated by FT-IR Spectroscopy and DFT Calculations
J. L. Mendoza-Cortes‡, M. Zhang‡, M. El-Roz‡, D. Lacy, J. C. Peters, H. Frei, Martin Head-Gordon
JOURNAL OF PHYSICAL CHEMISTRY C
2015, 119, 4645-4654. DOI: 10.1021/ja310022p
‡These authors contributed equally

1, 3-Sigmatropic fluorine migration to boron in McLafferty type of rearrangements: Observation of tetrafluorobenzyne radical cation and trifluorobenzyne cation by CID-mass spectrometry
Jose L. Mendoza-Cortes,N. G Nair, Ravinder Abrol, W. A. Goddard, V. P. Reddy
JOURNAL OF ORGANOMETALLIC CHEMISTRY
2013, 747, 133-139. DOI:10.1016/j.jorganchem.2013.06.006

Oxygen atom transfer and oxidative water incorporation in cuboidal Mn3MO n complexes based on synthetic, isotopic labeling, and computational studies
Jacob S. Kanady, Jose L. Mendoza-Cortes, E. Tsui, R. J. Nielsen, W. A. Goddard III, Theo Agapie
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
2013, 135, 1073--1082. DOI: 10.1021/ja310022p

A Covalent Organic Framework that Exceeds the DOE 2015 Volumetric Target for H2 Uptake at 298 K
Jose L. Mendoza-Cortes, H. Furukawa, Omar M. Yaghi, W. A. Goddard
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
2012, 18, 2671-2675. DOI: 10.1021/jz301000m

High H-2 Uptake in Li-, Na-, K-Metalated Covalent Organic Frameworks and Metal Organic Frameworks at 298 K
Jose L. Mendoza-Cortes, Han, SS; Goddard, WA
JOURNAL OF PHYSICAL CHEMISTRY A
2012, 116, 6, 1621-1631. DOI: 10.1021/jp206981d

Design of Covalent Organic Frameworks for Methane Storage
Jose L. Mendoza-Cortes, Pascal, TA; Goddard, WA
JOURNAL OF PHYSICAL CHEMISTRY A
2011, 115, 47, 13852-13857. DOI: 10.1021/jp209541e

Adsorption Mechanism and Uptake of Methane in Covalent Organic Frameworks: Theory and Experiment
Jose L. Mendoza-Cortes, Han SS; Furukawa H; Yaghi OM; Goddard, WA
JOURNAL OF PHYSICAL CHEMISTRY A
2010, 114, 40, 10824-10833. DOI: 10.1021/jp1044139

Recent advances on simulation and theory of hydrogen storage in metal-organic frameworks and covalent organic frameworks
Soo, Jose L. Mendoza-Cortes, Goddard WA
CHEMICAL SOCIETY REVIEWS
2009, 38, 5, 1460-1476. DOI: 10.1039/b802430h

Secondary building units, nets and bonding in the chemistry of metal-organic frameworks
Tranchemontagne DJ; Jose L. Mendoza-Cortes, O'Keeffe M; Yaghi OM
CHEMICAL SOCIETY REVIEWS
2009, 38, 5, 1257-1283. DOI: 10.1039/b817735j

Designed synthesis of 3D covalent organic frameworks
El-Kaderi HM; Hunt JR; Jose L. Mendoza-Cortes, Cote AP; Taylor RE; O'Keeffe M; Yaghi OM
SCIENCE
2007, 316, 5822, 268-272.
DOI: 10.1126/science.1139915

A high-yield, one-step synthesis of o-phenylene ethynylene cyclic trimer via precipitation-driven alkyne metathesis
Zhang W; Brombosz SM; Jose L. Mendoza, Moore JS
JOURNAL OF ORGANIC CHEMISTRY
2005, 70, 24, 10198-10201. DOI: 10.1021/jo0517803