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Desarrollo de nanoestructuras derivadas de grafeno para almacenar hidrogeno

Código del proyecto

FSE_1_2011_1_6160

Fecha de inicio

2012/10/01

Beneficiario

Pablo Andres Denis Marinoni : Universidad de la República

Duración

Año de convocatoria

2011

Departamento

Montevideo

Resumen publicable

El gran desarrollo industrial que la humanidad experimentó durante el siglo XX incrementó significativamente su dependencia de los combustibles fósiles, en particular del petróleo. La misma resulta nociva por dos aspectos: a) el petróleo es un recurso no renovable y por lo tanto se agotará. b) el petróleo es altamente contaminante. Desde hace algunos años se ha propuesto al hidrógeno como combustible sustituto del petróleo. Entre sus ventajas podemos destacar que su combustión genera agua y por lo tanto no contamina; además, es un recurso fácilmente obtenible. Si bien las industrias automotrices han creado varios prototipos capaces de funcionar a hidrógeno, estamos muy lejos de que su uso se vea masificado debido a un problema difícil de resolver: no se ha conseguido encontrar un material que sea capaz de almacenar reversiblemente hidrógeno en condiciones normales, es decir temperatura ambiente y bajas presiones. El objetivo de este proyecto consiste en desarrollar un compuesto derivado del grafeno que sea capaz de almacenar por lo menos 7.5% en peso de hidrógeno (densidad gravimétrica), 70 kg/m3 (densidad volumétrica) y una energía de adsorción de 15 kJ/mol por molécula de H2. Con este fin planeamos introducir centros insaturados en la red sp2 del grafeno que permita la unión de metales livianos como el calcio, aluminio. De esta manera se planea evitar el depósito de clusters metálicos y obtener una distribución homogénea de los mismos sobre la lámina del grafeno. Esto permitiría una absorción de tipo Kubas en los centros metálicos, ideal para el almacenamiento reversible de hidrógeno a temperatura ambiente. El hecho de que se empleen metales livianos no afectaría significativamente la capacidad de almacenamiento de la nanoestructura y tampoco elevaría el costo del compuesto debido a que el grafeno, aluminio y calcio poseen un bajo costo, característica esencial para su producción a gran escala.

Productos académicos

Artículo

Engel, P. S., Gudimetla, V. B., Gancheff, J. S., & Denis, P. A. (8 2012). Solution Phase Photolysis of 1,2-Dithiane Alone and with Single-Walled Carbon Nanotubes. The Journal of Physical Chemistry A, 116, 8345–8351. doi: https://www.doi.org/10.1021/jp306384u

Artículo

Denis, P. A. (10 2014). Chemical Reactivity and Band-Gap Opening of Graphene Doped with Gallium, Germanium, Arsenic, and Selenium Atoms. ChemPhysChem, 15, 3994–4000. doi: https://www.doi.org/10.1002/cphc.201402608

Artículo

Denis, P. A., & Iribarne, F. (8 2016). Dual doped monolayer and bilayer graphene: The case of 4p and 2p elements. Chemical Physics Letters, 658, 152–157. doi: https://www.doi.org/10.1016/j.cplett.2016.06.032

Artículo

Denis, P. A. (1 2014). Design and characterization of two strong fullerene receptors based on ballsocket interactions. Chemical Physics Letters, 591, 323–327. doi: https://www.doi.org/10.1016/j.cplett.2013.11.056

Artículo

Denis, P. A. (8 2011). Chemical reactivity of lithium-doped fullerenes. Journal of Physical Organic Chemistry, 25, 322–326. doi: https://www.doi.org/10.1002/poc.1918

Artículo

Denis, P. A. (10 2013). Coupled cluster investigation on the thermochemistry of dimethyl sulphide, dimethyl disulphide and their dissociation products: the problem of the enthalpy of formation of atomic sulphur. Molecular Physics, 112, 1167–1173. doi: https://www.doi.org/10.1080/00268976.2013.837536

Artículo

Denis, P. A. (2014). Stability and Electronic Properties of Biphenylene Based Functionalized Nanoribbons and Sheets. The Journal of Physical Chemistry C, 118(43), 24976–24982. doi: https://www.doi.org/10.1021/jp5069895

Artículo

Denis, P. A., & Iribarne, F. (4 2012). A First-Principles Study on the Interaction between Alkyl Radicals and Graphene. Chemistry A European Journal, 18, 7568–7574. doi: https://www.doi.org/10.1002/chem.201103711

Artículo

Denis, P. A. (7 2012). Coupled cluster investigation of the axial and equatorial isomers of pyrrolidine. Molecular Physics, 111, 9–17. doi: https://www.doi.org/10.1080/00268976.2012.698317

Artículo

Denis, P. A., Faccio, R., & Iribarne, F. (2012). How is the stacking interaction of bilayer graphene affected by the presence of defects? Computational and Theoretical Chemistry, 995, 1–7. doi: https://www.doi.org/10.1016/j.comptc.2012.06.014

Artículo

Denis, P. A. (2 2013). Concentration dependence of the band gaps of phosphorus and sulfur doped graphene. Computational Materials Science, 67, 203–206. doi: https://www.doi.org/10.1016/j.commatsci.2012.08.041

Artículo

Denis, P. A., & Iribarne, F. (10 2012). Cooperative behavior in functionalized graphene: Explaining the occurrence of 1,3 cycloaddition of azomethine ylides onto graphene. Chemical Physics Letters, 550, 111–117. doi: https://www.doi.org/10.1016/j.cplett.2012.08.062

Artículo

Denis, P. A. (2013). Chemical Reactivity of Electron-Doped and Hole-Doped Graphene. The Journal of Physical Chemistry C, 117(8), 3895–3902. doi: https://www.doi.org/10.1021/jp306544m

Artículo

Denis, P. A. (2013). Theoretical characterization of hydrogen pentoxide, H2O5. International Journal of Quantum Chemistry, 113, 2206–2212. doi: https://www.doi.org//10.1002/qua.24432

Artículo

Denis, P. A., & Iribarne, F. (6 2013). C2V or C6V: Which is the most stable structure of the benzenelithium complex? Chemical Physics Letters, 573, 15–18. doi: https://www.doi.org/10.1016/j.cplett.2013.04.009

Artículo

Denis, P. A. (10 2013). Organic Chemistry of Graphene: The Diels-Alder Reaction. Chemistry - A European Journal, 19, 15719–15725. doi: https://www.doi.org/10.1002/chem.201302622

Artículo

Denis, P. A., & Iribarne, F. (9 2013). Comparative Study of Defect Reactivity in Graphene. The Journal of Physical Chemistry C, 117, 19048–19055. doi: https://www.doi.org/10.1021/jp4061945

Artículo

Denis, P. A., & Gancheff, J. S. (2013). On the encapsulation of halide anions by bambus[6]uril. Computational and Theoretical Chemistry, 1023, 5–9. doi: https://www.doi.org/10.1016/j.comptc.2013.08.023

Artículo

Denis, P. A. (2013). Theoretical characterization of existing and new fullerene receptors. RSC Advances, 3, 25296. doi: https://www.doi.org/10.1039/c3ra45478a

Artículo

Denis, P. A., & Gancheff, J. S. (2014). Coupled cluster and density functional investigation of the hydrogen bond between halides, paraffines, olefins, and alkynes. Structural Chemistry, 25(3), 903–908. doi: https://www.doi.org/10.1007/s11224-013-0361-7

Artículo

Cerdá, M. F., Enciso P.,Cabrerizo F.,Gancheff J.S., Denis P.A. (2013). Phycocyanin as Potential Natural Dye for its Use in Photovoltaic Cells. Journal of Applied Solution Chemistry and Modeling. doi: https://www.doi.org/10.6000/1929-5030.2013.02.04.3

Artículo

Denis, P. A., & Iribarne, F. (2 2014). Theoretical investigation on the interaction between beryllium, magnesium and calcium with benzene, coronene, cirumcoronene and graphene. Chemical Physics, 430, 1–6. doi: https://www.doi.org/10.1016/j.chemphys.2013.11.013

Artículo

Denis, P. A., & Huelmo, C. P. (6 2014). New trends along hydrogen polyoxides: unusually long oxygenoxygen bonds in H2O6 and H2O7. Molecular Physics, 112, 3047–3056. doi: https://www.doi.org/10.1080/00268976.2014.928385

Artículo

Denis, P. A., & Iribarne, F. (8 2014). Theoretical investigation of the 9,10-bis(1,3-dithiol-2-ylidene)-9,10-dihydroanthracene (exTTF) dimer. Structural Chemistry, 26, 171–176. doi: https://www.doi.org/10.1007/s11224-014-0480-9

Artículo

Denis, P. A., Pereyra, C., & Iribarne, F. (2014). Theoretical characterization of sulfur and nitrogen dual-doped graphene. Computational and Theoretical Chemistry, 1049, 13–19. doi: https://www.doi.org/10.1016/j.comptc.2014.08.023

Artículo

Denis, P. A. (2014). A theoretical study on the interaction between well curved conjugated systems and fullerenes smaller than C60 or larger than C70. Journal of Physical Organic Chemistry, 27(12), 918–925. doi: https://www.doi.org/10.1002/poc.3357

Artículo

Denis, P. A. (2014). A comparative study on the performance of subphthalocyanines and corannulene derivatives as receptors for fullerenes. New J. Chem., 38, 5608–5616. doi: https://www.doi.org/10.1039/C4NJ00865K

Artículo

Tam, N. M., Hang, T. D., Pham, H. T., Nguyen, H. T., Pham-Ho, M. P., Denis, P. A., & Nguyen, M. T. (2 2015). Bonding and singlet-triplet gap of silicon trimer: Effects of protonation and attachment of alkali metal cations. Journal of Computational Chemistry, 36, 805–815. doi: https://www.doi.org/10.1002/jcc.23856

Artículo

Denis, P. A., & Pereyra, C. (6 2015). Structural characterization and chemical reactivity of dual doped graphene. Carbon, 87, 106–115. doi: https://www.doi.org/10.1016/j.carbon.2015.01.049

Artículo

Denis, P. A., & Iribarne, F. (6 2015). Hydrogen storage in doped biphenylene based sheets. Computational and Theoretical Chemistry, 1062, 30–35. doi: https://www.doi.org/10.1016/j.comptc.2015.03.012

Artículo

Gancheff, J. S., & Denis, P. A. (7 2015). Relative affinity of bambus[6]uril towards halide ions: A DFT/GIAO approach in the gas phase, and in the presence of the solvent employing discrete and discrete-continuum models. Computational and Theoretical Chemistry, 1064, 35–44. doi: https://www.doi.org/10.1016/j.comptc.2015.03.028

Artículo

Denis, P. A. (2015). Pristine Graphene-Based Catalysis: Significant Reduction of the Inversion Barriers of Adsorbed and Confined Corannulene, Sumanene, and Dibenzo[a,g]corannulene. The Journal of Physical Chemistry A, 119(22), 5770–5777. doi: https://www.doi.org/10.1021/acs.jpca.5b02181

Artículo

Denis, P. A. (9 2017). Diels-Alder reactions onto fluorinated and hydrogenated graphene. Chemical Physics Letters, 684, 79–85. doi: https://www.doi.org/10.1016/j.cplett.2017.06.034

Artículo

Denis, P. A., & Iribarne, F. (6 2015). Strong N-Doped Graphene: The Case of 4-(1,3-Dimethyl-2,3-dihydro-1iH/i-benzoimidazol-2-yl)phenyl)dimethylamine (iN/i-DMBI). The Journal of Physical Chemistry C, 119, 15103–15111. doi: https://www.doi.org/10.1021/acs.jpcc.5b01683

Artículo

Denis, P. A., & Iribarne, F. (9 2015). Buckycatcher polymer versus fullerene-buckycatcher complex: Which is stronger? International Journal of Quantum Chemistry, 115, 1668–1672. doi: https://www.doi.org/10.1002/qua.25004

Artículo

Denis, P. A., & Yanney, M. (11 2015). Subphthalocyanines hydrogen bonded capsules featuring norbornadiene tethers: Promising fullerene receptors. Chemical Physics Letters, 640, 140–146. doi: https://www.doi.org/10.1016/j.cplett.2015.10.019

Artículo

Denis, P. A., & Yanney, M. (2016). Organic nanotubes and belt shaped molecules based on norbornadiene tethers. New Journal of Chemistry, 40, 202–208. doi: https://www.doi.org/10.1039/c5nj02255j

Artículo

Denis, P. A., Pereyra, C., & Martins, A. S. (2016). Band Gap Opening in Dual-Doped Monolayer Graphene. The Journal of Physical Chemistry C, 120(13), 7103–7112. doi: https://www.doi.org/10.1021/acs.jpcc.5b11709

Artículo

Denis, P. A., & Yanney, M. (2016). Porphyrins bearing corannulene pincers: outstanding fullerene receptors. RSC Advances, 6, 50978–50984. doi: https://www.doi.org/10.1039/c6ra11482b

Artículo

Alvareda, E., Denis, P. A., Iribarne, F., & Paulino, M. (9 2016). Bond dissociation energies and enthalpies of formation of flavonoids: A G4 and M06-2X investigation. Computational and Theoretical Chemistry, 1091, 18–23. doi: https://www.doi.org/10.1016/j.comptc.2016.06.021

Artículo

Denis, P. A. (9 2016). Structure and chemical reactivity of lithium-doped graphene on hydrogen-saturated silicon carbide. Journal of Materials Science, 52, 1348–1356. doi: https://www.doi.org/10.1007/s10853-016-0429-z

Artículo

Denis, P. A. (12 2016). Mono and dual doped monolayer graphene with aluminum, silicon, phosphorus and sulfur. Computational and Theoretical Chemistry, 1097, 40–47. doi: https://www.doi.org/10.1016/j.comptc.2016.10.002

Artículo

Denis, P. A. (10 2016). Heteroatom Promoted Cycloadditions for Graphene. ChemistrySelect, 1, 5497–5500. doi: https://www.doi.org/10.1002/slct.201601366

Artículo

Denis, P. A. (2017). Lithium adsorption on heteroatom mono and dual doped graphene. Chemical Physics Letters, 672, 70–79. doi: https://www.doi.org/10.1016/j.cplett.2017.01.036

Artículo

Ullah, S., Denis, P. A., & Sato, F. (6 2017). Triple-Doped Monolayer Graphene with Boron, Nitrogen, Aluminum, Silicon, Phosphorus, and Sulfur. ChemPhysChem, 18, 1854. doi: https://www.doi.org/10.1002/cphc.201700698

Artículo

Denis, P. A., Huelmo, C. P., & Iribarne, F. (9 2017). On the band gaps and effective masses of mono and dual doped monolayer graphene. Computational Materials Science, 137, 20–29. doi: https://www.doi.org/10.1016/j.commatsci.2017.05.006

Artículo

Denis, P. A., Kramer, M., Lee, C., & Yanney, M. (6 2017). An effective tridental molecular clip for fullerenes. Journal of Physical Organic Chemistry, 31. doi: https://www.doi.org/10.1002/poc.3727

Artículo

Denis, P. A., & Iribarne, F. (6 2017). Cycloaddition Reactions between Graphene and Fluorinated Maleimides. The Journal of Physical Chemistry C, 121, 13218–13222. doi: https://www.doi.org/10.1021/acs.jpcc.7b03413

Artículo

Ullah, S., Denis, P. A., & Sato, F. (12 2017). Beryllium doped graphene as an efficient anode material for lithium-ion batteries with significantly huge capacity: A DFT study. Applied Materials Today, 9, 333–340. doi: https://www.doi.org/10.1016/j.apmt.2017.08.013

Artículo

Denis, P. A. (10 2017). Are [6+4] Cycloadditions onto Graphene Possible? ChemistrySelect, 2, 9620–9623. doi: https://www.doi.org/10.1002/slct.201702191

Artículo

Denis, P. A. (11 2017). Band gap opening in bilayer graphene by the simultaneous adsorption of electron donating and electron acceptor molecules. Computational and Theoretical Chemistry, 1120, 96–101. doi: https://www.doi.org/10.1016/j.comptc.2017.10.006

Artículo

Denis, P. A., & Iribarne, F. (6 2018). Adsorption of polycyclic aromatic hydrocarbons and inversion barriers of curved conjugated systems inside the molecular cage ExCage6+. International Journal of Quantum Chemistry, 118. doi: https://www.doi.org/10.1002/qua.25539

Artículo

Denis, P. A. (7 2018). On the estimation of the strength of supramolecular complexes of fullerenes. International Journal of Quantum Chemistry, 119. doi: https://www.doi.org/10.1002/qua.25670

Artículo

Denis, P. A. (2018). Theoretical characterization of supramolecular complexes formed by fullerenes and dimeric porphyrins. New Journal of Chemistry, 42, 9956–9964. doi: https://www.doi.org/10.1039/c8nj01467a

Artículo

Ullah, S., Denis, P. A., & Sato, F. (2018). First-principles study of dual-doped graphene: towards promising anode materials for Li/Na-ion batteries. New Journal of Chemistry, 42, 10842–10851. doi: https://www.doi.org/10.1039/c8nj01098f

Artículo

Ullah, S., Denis, P. A., & Sato, F. (10 2018). Adsorption of Sodium on Doped Graphene: A vdW-DF Study. Current Graphene Science, 2, 35–44. doi: https://www.doi.org/10.2174/2452273202666180517101215

Artículo

Ullah, S., Denis, P. A., & Sato, F. (2018). Coupled cluster and density functional investigation of the neutral sodium-benzene and potassium-benzene complexes. Chemical Physics Letters, 706, 343–347. doi: https://www.doi.org/10.1016/j.cplett.2018.06.028

Artículo

Denis, P. A., & Iribarne, F. (2018). New Approach to Accomplish the Covalent Functionalization of Boron Nitride Nanosheets: Cycloaddition Reactions. The Journal of Physical Chemistry C, 122(32), 18583–18587. doi: https://www.doi.org/10.1021/acs.jpcc.8b05907

Artículo

Ullah, S., Denis, P. A., & Sato, F. (11 2018). Unusual Enhancement of the Adsorption Energies of Sodium and Potassium in Sulfur-Nitrogen and Silicon-Boron Codoped Graphene. ACS Omega, 3, 15821–15828. doi: https://www.doi.org/10.1021/acsomega.8b02500

Artículo

Ullah, S., Denis, P. A., & Sato, F. (12 2018). Hydrogenation and Fluorination of 2D Boron Phosphide and Boron Arsenide: A Density Functional Theory Investigation. ACS Omega, 3, 16416–16423. doi: https://www.doi.org/10.1021/acsomega.8b02605

Artículo

Ullah, S., Denis, P. A., & Sato, F. (3 2019). Hexagonal boron phosphide as a potential anode nominee for alkali-based batteries: A multi-flavor DFT study. Applied Surface Science, 471, 134–141. doi: https://www.doi.org/10.1016/j.apsusc.2018.12.020

Artículo

Ullah, S., Denis, P. A., & Sato, F. (1 2019). Adsorption and diffusion of alkali-atoms (Li, Na, and K) on BeN dual doped graphene. International Journal of Quantum Chemistry, 119. doi: https://www.doi.org/10.1002/qua.25900

Artículo

Ullah, S., Denis, P. A., Capaz, R. B., & Sato, F. (2019). Theoretical characterization of hexagonal 2D Be3N2 monolayers. New Journal of Chemistry, 43, 2933–2941. doi: https://www.doi.org/10.1039/c8nj05600e

Artículo

Ullah, S., Denis, P. A., & Sato, F. (2 2019). Coupled cluster investigation of the interaction of beryllium, magnesium, and calcium with pyridine: Implications for the adsorption on nitrogen-doped graphene. Computational and Theoretical Chemistry, 1150, 57–62. doi: https://www.doi.org/10.1016/j.comptc.2019.01.015

Artículo

Ullah, S., Denis, P. A., & Sato, F. (2019a). Monolayer boron‐arsenide as a perfect anode for alkali‐based batteries with large storage capacities and fast mobilities. International Journal of Quantum Chemistry, 119(18). doi: https://www.doi.org/10.1002/qua.25975

Artículo

Denis, P. A., Pereyra, C., & Iribarne, F. (2019). Cycloaddition reactions on epitaxial graphene. New Journal of Chemistry, 43, 11251–11257. doi: https://www.doi.org/10.1039/c9nj02528f

Artículo

Huelmo, C. P., & Denis, P. A. (7 2019). Unraveling the electromagnetic structure of the epitaxial graphene buffer layer. Journal of Physics: Condensed Matter, 31, 435001. doi: https://www.doi.org/10.1088/1361-648x/ab2ee2

Artículo

Ullah, S., Denis, P. A., Menezes, M. G., & Sato, F. (2019). Tunable optoelectronic properties in h-BP/h-BAs bilayers: The effect of an external electrical field. Applied Surface Science, 493, 308–319. doi: https://www.doi.org/10.1016/j.apsusc.2019.07.030

Artículo

Denis, P. A., & Iribarne, F. (9 2019). Comparative study of the chemical reactivity of graphene and boron nitride sheets. Computational and Theoretical Chemistry, 1164, 112538. doi: https://www.doi.org/10.1016/j.comptc.2019.112538

Artículo

Ullah, S., Denis, P. A., & Sato, F. (12 2019). Non-trivial band gaps and charge transfer in Janus-like functionalized bilayer boron arsenide. Computational Materials Science, 170, 109186. doi: https://www.doi.org/10.1016/j.commatsci.2019.109186

Artículo

Ullah, S., Denis, P. A., Capaz, R. B., & Sato, F. (2019). Theoretical characterization of hexagonal 2D Besub3/subNsub2/sub monolayers. New Journal of Chemistry, 43(7), 2933–2941. doi: https://www.doi.org/10.1039/c8nj05600e

Artículo

Pereyra, C., & Denis, P. A. (11 2019). Silicon Carbide Induced Doping of Graphene: A New Potential Synthetic Route for SiCsub3/sub Siligraphene. The Journal of Physical Chemistry C, 123, 30341–30350. doi: https://www.doi.org/10.1021/acs.jpcc.9b07978

Artículo

Denis, P. A., Ullah, S., & Iribarne, F. (2020). Reduction chemistry of hexagonal boron nitride sheets and graphene: a comparative study on the effect of alkali atom doping on their chemical reactivity. New Journal of Chemistry, 44, 5725–5730. doi: https://www.doi.org/10.1039/d0nj00414f

Artículo

Huelmo, C. P., Menezes, M. G., Capaz, R. B., & Denis, P. A. (2020). Structural and magnetic properties of a defective graphene buffer layer grown on SiC(0001): a DFT study. Physical Chemistry Chemical Physics, 22, 16096–16106. doi: https://www.doi.org/10.1039/d0cp02167a

Artículo

Ullah, S., Denis, P. A., Menezes, M. G., & Sato, F. (2 2021). Tunable and sizeable band gaps in strained SiC3/hBN vdW heterostructures: A potential replacement for graphene in future nanoelectronics. Computational Materials Science, 188, 110233. doi: https://www.doi.org/10.1016/j.commatsci.2020.110233

Artículo

Huelmo, C. P., Iribarne, F., & Denis, P. A. (3 2021). On the electronic properties of defective graphene buffer layer on 6HSiC(0001). Computational Condensed Matter, 26, e00538. doi: https://www.doi.org/10.1016/j.cocom.2021.e00538

Artículo

Huelmo, C. P., Iribarne, F., & Denis, P. A. (3 2021). Elucidating the electronic and magnetic properties of epitaxial graphene grown on SiC with a defective buffer layer. Journal of Materials Science, 56, 11386–11401. doi: https://www.doi.org/10.1007/s10853-021-06023-9

Artículo

Iribarne, F., & Denis, P. A. (2 2021). Adsorption of organic molecules on graphene and fluorographene: An unresolved discrepancy between experiment and theory. International Journal of Quantum Chemistry, 121. doi: https://www.doi.org/10.1002/qua.26605

Artículo

Huelmo, C. P., & Denis, P. A. (2021). Impact of oxygen adsorption on the electronic properties and contact type of a defective epitaxial graphene-SiC interface. Computational and Theoretical Chemistry, 1203, 113361–113361. doi: https://www.doi.org/10.1016/j.comptc.2021.113361

Artículo

Denis, P. A. (12 2021). Theoretical study of the adsorption of lithium, sodium and potassium on pyridine. Chemical Physics Letters, 784, 139112. doi: https://www.doi.org/10.1016/j.cplett.2021.139112

Artículo

Zeb, J., Ran, G., Denis, P. A., Ghani, U., Liu, J., Yuan, Q., Zhang, W. (7 2022). Ultrafast dynamics of the liquid deposited blend film of porphyrin donor and perylene diimide acceptor. Chemical Physics, 559, 111547. doi: https://www.doi.org/10.1016/j.chemphys.2022.111547

Artículo

Denis, P. A. (9 2022). New insights into the covalent functionalization of black and blue phosphorene. Computational and Theoretical Chemistry, 1215, 113839. doi: https://www.doi.org/10.1016/j.comptc.2022.113839