[31] N. V. Tepliakov, R. Ma, J. Lischner, E. Kaxiras, A. A. Mostofi, M. Pizzochero
Dirac half-semimetallicity and antiferromagnetism in graphene nanoribbon/hexagonal boron nitride heterojunctions
Nano Letters 23, 6698 (2023)

[30] G. R. Schleder, M. Pizzochero, E. Kaxiras
One-dimensional moirè physics and chemistry in heterostrained bilayer graphene
The Journal of Physical Chemistry Letters 14, 8853 (2023)

[29]  A. S. Chaves, M. Pizzochero, D. T. Larson, A. Antonelli, E. Kaxiras
Semiclassical electron and phonon transport from first principles: Application to layered thermoelectrics
Journal of Computational Electronics 22, 1281 (2023)

[28]  V. Hsieh, D. Halbertal, N. R. Finney, Z. Zhu, E. Gerber, M. Pizzochero, E. Kuckukbenli, G. R. Schleder, M. Angeli, K. Watanabe, T. Taniguchi, E. A. Kim, E. Kaxiras, J. Hone, C. R. Dean, D. N. Basov
Domain-dependent surface adhesion in twisted few-layer graphene: Platform for moiré-assisted chemistry
Nano Letters 23, 3137 (2023)

[27] N. V. Tepliakov, J. Lischner, E. Kaxiras, A. A. Mostofi, M. Pizzochero
Unveiling and manipulating hidden symmetries in graphene nanoribbons
Physical Review Letters 130, 026401 (2023)

[26] Y. Zhao, K. Jiang, C. Li, Y. Liu, G. Zhu, M. Pizzochero, E. Kaxiras, D. Guan, Y. Li, H. Zheng, C. Liu, J. Jia, M. Qin, X. Zhuang, S. Wang
Quantum nanomagnets in on-surface metal-free porphyrins chains 
Nature Chemistry 15, 53 (2023)

[25] M. Pizzochero & E. Kaxiras
Hydrogen atoms on zigzag graphene nanoribbons: Chemistry and magnetism meet at the edge
Nano Letters 22, 1922 (2022)

[24] M. Pizzochero, N. V. Tepliakov, A. A. Mostofi, E. Kaxiras
Electrically induced Dirac fermions in graphene nanoribbons
Nano Letters 21, 9332 (2021)

[23] M. Pizzochero & E. Kaxiras
Imprinting tunable π-magnetism in graphene nanoribbons via edge extensions
The Journal of Physical Chemistry Letters 12, 1214 (2021)

[22] M. Pizzochero, G. Borin Barin, K. Cernevics, S. Wang, P. Ruffieux, R. Fasel, O. V. Yazyev
Edge disorder in bottom-up zigzag graphene nanoribbons: Implications for magnetism and quantum electronic transport
The Journal of Physical Chemistry Letters 12, 4692 (2021)

[21] M. Pizzochero, K. Cernevics, G. Borin Barin, S. Wang, P. Ruffieux, R. Fasel, O. V. Yazyev
Quantum electronic transport across "bite" defects in graphene nanoribbons
2D Materials 8, 035025 (2021)

[20] K. Cernevics, O. V. Yazyev, M. Pizzochero
Electronic transport across quantum dots in graphene nanoribbons: Toward built-in gap-tunable metal-semiconductor-metal heterojunctions
Physical Review B 102, 201406(R) (2020)

[19] A. Avsar, C. C. Yeon, M. Pizzochero, M. Tripathi, A. Ciarrocchi, O. V. Yazyev, A. Kis
Probing magnetism in atomically thin semiconducting PtSe₂
Nature Communications 11, 4806 (2020)

[18] K. Cernevics, M. Pizzochero, O. V. Yazyev
Even-odd conductance effect in graphene nanoribbons induced by edge-functionalization with aromatic molecules: Basis for novel chemosensors
The European Physical Journal Plus 135, 681 (2020)

[17] S. R. Singamaneni, L. M. Martinez, J. Niklas, O. G. Poluektov, R. Yadav, M. Pizzochero, O. V. Yazyev, M. A. McGuire
Light induced electron spin resonance properties of van der Waals CrX₃ (X = Cl, I) crystals
Applied Physics Letters 117, 082406 (2020)

[16] E. Martino, D. Santos-Cottin, F. Le Martelé, K. Semeniuk, M. Pizzochero, K. Cernevics, L. Delbes, B. Baptiste, S. Klotz, F. Capitani, H. Berger, O. V. Yazyev, A. Akrap
Structural phase transition and bandgap control through mechanical deformation in layered semiconductors 1T-ZrX₂ (X = S, Se)
ACS Materials Letters 2, 1115 (2020)

[15] M. Pizzochero & O. V. Yazyev
Inducing magnetic phase transitions in monolayer CrI₃ via lattice deformations
The Journal of Physical Chemistry C 124, 7585 (2020)

[14] M. Pizzochero
Atomic-scale defects in the two-dimensional ferromagnet CrI₃ from first principles
Journal of Physics D: Applied Physics 53, 244003 (2020)

[13] M. Pizzochero, R. Yadav, O. V. Yazyev
Magnetic exchange interactions in monolayer CrI₃ from many-body wavefunction calculations
2D Materials 7, 035005 (2020)

[12] M. Pizzochero, M. Bonfanti, R. Martinazzo
To bend or not to bend, the dilemma of multiple bonds
Physical Chemistry Chemical Physics 21, 26342 (2019)

[11] Z. Pedramrazi, C. Herbig, A. Pulkin, S. Tang, M. Philips, D. Wong, H. Ryu, M. Pizzochero, Y. Chen, F. Wang, E. J. Mele, Z. X. Shen, S.-K. Mo, O. V. Yazyev, M. F. Crommie
Manipulating topological domain boundaries in the single-layer quantum spin Hall insulator 1T’-WSe₂
Nano Letters 19, 5634 (2019)

[10] M. Pizzochero, F. Ambrosio, A. Pasquarello
Picture of the wet electron: A localized transient state in liquid water
Chemical Science 10, 7442 (2019)

[9] A. Avsar, A. Ciarrocchi, M. Pizzochero, D. Unuchek, O. V. Yazyev, A. Kis
Defect induced, layer-modulated magnetism in ultrathin metallic PtSe₂
Nature Nanotechnology 14, 674 (2019)

[8] M. W. Chen, H. K. Kim, C. Bernard, M. Pizzochero, J. Zaldivar Fernandez, J. I. Pascual, M. M. Ugeda, O. V. Yazyev, T. Greber, J. Osterwalder, O. Renault, A. Kis
Electronic properties of transferable atomically-thin MoSe₂/h-BN heterostructures grown on Rh(111)
ACS Nano 12, 11161 (2018)

[7] M. Pizzochero & O. V. Yazyev
Single-layer 1T’-MoS₂ under electron irradiation from ab initio molecular dynamics
2D Materials 5, 025022 (2018)

[6] M. Pizzochero & O. V. Yazyev
Point defects in the 1T’ and 2H phases of single-layer MoS₂: A comparative first-principles study
Physical Review B 96, 245402 (2017)

[5] M. W. Chen, D. Ovchinnikov, S. Lazar, M. Pizzochero, M. B. Whitwick, A. Surrente, M. Baranowski, O. Lopez-Sanchez, P. Gillet, P. Plochocka, O. V. Yazyev, A. Kis
Highly-oriented atomically thin ambipolar MoSe₂ grown by molecular beam epitaxy
ACS Nano 11, 6355 (2017)

[4] M. Pizzochero, M. Bonfanti, R. Martinazzo
Hydrogen on silicene: like or unlike graphene?
Physical Chemistry Chemical Physics 18, 15654 (2016)

[3] M. Pizzochero, O. Leenaerts, B. Partoens, R. Martinazzo, F. M. Peeters
Hydrogen adsorption on boron and nitrogen doped graphene
Journal of Physics: Condensed Matter 27, 425502 (2015)

Preprints
 

[2] R. Yadav, L. Xu, M. Pizzochero, J. van den Brink, M. I. Katsnelson, O. V. Yazyev
Electronic excitations and spin interactions in chromium trihalides from embedded many-body wavefunctions
Preprint: arXiv:2203.02195 (2022)

[1]  M. Zhang, G. Dellaferrera, A. Sikarwar, M. Armendariz, N. Mudrik, P. Agrawal, S. Madan, A. Barbu, H. Yang, T. Kumar,  M. Sadwani, S. Dellaferrera, M. Pizzochero, H. Pfister, G. Kreiman
Human or machine? Turing tests for vision
Preprint: arXiv:2211.13087 (2022)