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Pieremanuele Canepa - Publications

Affiliations: 
National University of Singapore, Singapore, Singapore 
 2023- Electrical and Computer Engineering University of Houston, Houston, TX, United States 
Area:
materials modeling, discovery science
Website:
https://www.ee.uh.edu/faculty/canepa-pieremanuele
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58 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2023 Liu Y, Liang J, Deng Z, Guo S, Ji X, Chen C, Canepa P, Lü X, Mao L. 0D Pyramid-intercalated 2D Bimetallic Halides with Tunable Electronic Structures and Enhanced Emission under Pressure. Angewandte Chemie (International Ed. in English). e202314977. PMID 37991471 DOI: 10.1002/anie.202314977  0.638
2023 Evans HA, Yildirim T, Peng P, Cheng Y, Deng Z, Zhang Q, Mullangi D, Zhao D, Canepa P, Breunig HM, Cheetham AK, Brown CM. Hydrogen Storage with Aluminum Formate, ALF: Experimental, Computational, and Technoeconomic Studies. Journal of the American Chemical Society. 145: 22150-22157. PMID 37767573 DOI: 10.1021/jacs.3c08037  0.714
2023 Li Z, Ma X, Wei F, Wang D, Deng Z, Jiang M, Siddiquee AM, Qi K, Zhu D, Zhao M, Shen M, Canepa P, Kou S, Lin J, Wang Q. As-grown Miniaturized True Zero-order Waveplates Based on Low-dimensional Ferrocene Crystals. Advanced Materials (Deerfield Beach, Fla.). e2302468. PMID 37207692 DOI: 10.1002/adma.202302468  0.621
2023 Zhang Z, Deng Z, Evans HA, Mullangi D, Kang C, Peh SB, Wang Y, Brown CM, Wang J, Canepa P, Cheetham AK, Zhao D. Exclusive Recognition of CO from Hydrocarbons by Aluminum Formate with Hydrogen-Confined Pore Cavities. Journal of the American Chemical Society. PMID 37196352 DOI: 10.1021/jacs.3c01705  0.698
2023 Mullangi D, Evans HA, Yildirim T, Wang Y, Deng Z, Zhang Z, Mai TT, Wei F, Wang J, Hight Walker AR, Brown CM, Zhao D, Canepa P, Cheetham AK. Noncryogenic Air Separation Using Aluminum Formate Al(HCOO) (ALF). Journal of the American Chemical Society. PMID 37083432 DOI: 10.1021/jacs.3c02100  0.714
2023 Sun C, Deng Z, Li Z, Chen Z, Zhang X, Chen J, Lu H, Canepa P, Chen R, Mao L. Achieving Near-unity Photoluminescence Quantum Yields in Organic-Inorganic Hybrid Antimony (III) Chlorides with the [SbCl ] Geometry. Angewandte Chemie (International Ed. in English). e202216720. PMID 36622348 DOI: 10.1002/anie.202216720  0.643
2022 Canepa P. Pushing Forward Simulation Techniques of Ion Transport in Ion Conductors for Energy Materials. Acs Materials Au. 3: 75-82. PMID 38089728 DOI: 10.1021/acsmaterialsau.2c00057  0.308
2022 Evans HA, Mullangi D, Deng Z, Wang Y, Peh SB, Wei F, Wang J, Brown CM, Zhao D, Canepa P, Cheetham AK. Aluminum formate, Al(HCOO): An earth-abundant, scalable, and highly selective material for CO capture. Science Advances. 8: eade1473. PMID 36322645 DOI: 10.1126/sciadv.ade1473  0.72
2022 Deng Z, Mishra TP, Mahayoni E, Ma Q, Tieu AJK, Guillon O, Chotard JN, Seznec V, Cheetham AK, Masquelier C, Gautam GS, Canepa P. Author Correction: Fundamental investigations on the sodium-ion transport properties of mixed polyanion solid-state battery electrolytes. Nature Communications. 13: 5532. PMID 36131067 DOI: 10.1038/s41467-022-33224-w  0.745
2022 Liu Y, Gong YP, Geng S, Feng ML, Manidaki D, Deng Z, Stoumpos CC, Canepa P, Xiao Z, Zhang WX, Mao L. Hybrid Germanium Bromide Perovskites with Tunable Second Harmonic Generation. Angewandte Chemie (International Ed. in English). PMID 36043492 DOI: 10.1002/anie.202208875  0.658
2022 Deng Z, Mishra TP, Mahayoni E, Ma Q, Tieu AJK, Guillon O, Chotard JN, Seznec V, Cheetham AK, Masquelier C, Gautam GS, Canepa P. Fundamental investigations on the sodium-ion transport properties of mixed polyanion solid-state battery electrolytes. Nature Communications. 13: 4470. PMID 35918385 DOI: 10.1038/s41467-022-32190-7  0.751
2022 Scholz T, Schneider C, Terban MW, Deng Z, Eger R, Etter M, Dinnebier RE, Canepa P, Lotsch BV. Superionic Conduction in the Plastic Crystal Polymorph of NaPS. Acs Energy Letters. 7: 1403-1411. PMID 35434367 DOI: 10.1021/acsenergylett.1c02815  0.681
2022 Sebti E, Evans HA, Chen H, Richardson PM, White KM, Giovine R, Koirala KP, Xu Y, Gonzalez-Correa E, Wang C, Brown CM, Cheetham AK, Canepa P, Clément RJ. Stacking Faults Assist Lithium-Ion Conduction in a Halide-Based Superionic Conductor. Journal of the American Chemical Society. PMID 35325534 DOI: 10.1021/jacs.1c11335  0.625
2020 Famprikis T, Kudu ÖU, Dawson JA, Canepa P, Fauth F, Suard E, Zbiri M, Dambournet D, Borkiewicz OJ, Bouyanfif H, Emge SP, Cretu S, Chotard JN, Grey CP, Zeier WG, et al. Under Pressure: Mechanochemical Effects on Structure and Ion Conduction in the Sodium-Ion Solid Electrolyte NaPS. Journal of the American Chemical Society. PMID 33054192 DOI: 10.1021/jacs.0c06668  0.328
2020 Deng Z, Wei F, Wu Y, Seshadri R, Cheetham AK, Canepa P. Understanding the Structural and Electronic Properties of Bismuth Trihalides and Related Compounds. Inorganic Chemistry. PMID 31990531 DOI: 10.1021/Acs.Inorgchem.9B03214  0.737
2020 Forero-Saboya J, Davoisne C, Dedryvère R, Yousef I, Canepa P, Ponrouch A. Understanding the nature of the passivation layer enabling reversible calcium plating Energy and Environmental Science. DOI: 10.1039/D0Ee02347G  0.331
2020 Deng Z, Gautam GS, Kolli SK, Chotard J, Cheetham AK, Masquelier C, Canepa P. Phase Behavior in Rhombohedral NaSiCON Electrolytes and Electrodes Chemistry of Materials. DOI: 10.1021/Acs.Chemmater.0C02695  0.68
2019 Famprikis T, Canepa P, Dawson JA, Islam MS, Masquelier C. Fundamentals of inorganic solid-state electrolytes for batteries. Nature Materials. PMID 31427742 DOI: 10.1038/S41563-019-0431-3  0.44
2019 Chen T, Ceder G, Sai Gautam G, Canepa P. Evaluation of Mg Compounds as Coating Materials in Mg Batteries. Frontiers in Chemistry. 7: 24. PMID 30761292 DOI: 10.3389/Fchem.2019.00024  0.765
2019 Kasel TW, Deng Z, Mroz AM, Hendon CH, Butler KT, Canepa P. Metal-free perovskites for non linear optical materials Chemical Science. 10: 8187-8194. DOI: 10.1039/C9Sc03378E  0.66
2019 Chen T, Gautam GS, Canepa P. Ionic Transport in Potential Coating Materials for Mg Batteries Chemistry of Materials. 31: 8087-8099. DOI: 10.1021/Acs.Chemmater.9B02692  0.404
2019 Dawson JA, Canepa P, Clarke MJ, Famprikis T, Ghosh D, Islam MS. Toward Understanding the Different Influences of Grain Boundaries on Ion Transport in Sulfide and Oxide Solid Electrolytes Chemistry of Materials. 31: 5296-5304. DOI: 10.1021/Acs.Chemmater.9B01794  0.408
2018 Dawson JA, Canepa P, Famprikis T, Masquelier C, Islam MS. Correction to "Atomic-Scale Influence of Grain Boundaries on Li-Ion Conduction in Solid Electrolytes for All-Solid-State Batteries". Journal of the American Chemical Society. PMID 29792426 DOI: 10.1021/Jacs.8B04915  0.386
2018 Meutzner F, Nestler T, Zschornak M, Canepa P, Gautam GS, Leoni S, Adams S, Leisegang T, Blatov VA, Meyer DC. Computational analysis and identification of battery materials Physical Sciences Reviews. 4. DOI: 10.1515/Psr-2018-0044  0.4
2018 Canepa P, Dawson JA, Sai Gautam G, Statham JM, Parker SC, Islam MS. Particle Morphology and Lithium Segregation to Surfaces of the Li7La3Zr2O12 Solid Electrolyte Chemistry of Materials. 30: 3019-3027. DOI: 10.1021/Acs.Chemmater.8B00649  0.444
2018 Hannah DC, Sai Gautam G, Canepa P, Ceder G. On the Balance of Intercalation and Conversion Reactions in Battery Cathodes Advanced Energy Materials. 8: 1800379. DOI: 10.1002/Aenm.201800379  0.533
2017 Dawson JA, Canepa P, Famprikis T, Masquelier C, Islam MS. Atomic-Scale Influence of Grain Boundaries on Li-ion Conduction in Solid Electrolytes for All-Solid-State Batteries. Journal of the American Chemical Society. PMID 29224340 DOI: 10.1021/Jacs.7B10593  0.369
2017 Canepa P, Bo SH, Sai Gautam G, Key B, Richards WD, Shi T, Tian Y, Wang Y, Li J, Ceder G. High magnesium mobility in ternary spinel chalcogenides. Nature Communications. 8: 1759. PMID 29170372 DOI: 10.1038/S41467-017-01772-1  0.788
2017 Hannah DC, Sai Gautam G, Canepa P, Rong Z, Ceder G. Magnesium ion mobility in post-spinels accessible at ambient pressure. Chemical Communications (Cambridge, England). PMID 28439589 DOI: 10.1039/C7Cc01092C  0.765
2017 Canepa P, Sai Gautam G, Hannah DC, Malik R, Liu M, Gallagher KG, Persson KA, Ceder G. Odyssey of Multivalent Cathode Materials: Open Questions and Future Challenges. Chemical Reviews. 117: 4287-4341. PMID 28269988 DOI: 10.1021/Acs.Chemrev.6B00614  0.781
2017 Ihm Y, Cooper VR, Vlcek L, Canepa P, Thonhauser T, Shim JH, Morris JR. Continuum Model of Gas Uptake for Inhomogeneous Fluids The Journal of Physical Chemistry C. 121: 17625-17632. DOI: 10.1021/Acs.Jpcc.7B04834  0.319
2017 Canepa P, Sai Gautam G, Broberg D, Bo S, Ceder G. Role of Point Defects in Spinel Mg Chalcogenide Conductors Chemistry of Materials. 29: 9657-9667. DOI: 10.1021/Acs.Chemmater.7B02909  0.663
2017 Sai Gautam G, Canepa P, Urban A, Bo S, Ceder G. Influence of Inversion on Mg Mobility and Electrochemistry in Spinels Chemistry of Materials. 29: 7918-7930. DOI: 10.1021/Acs.Chemmater.7B02820  0.677
2017 Tan K, Zuluaga S, Wang H, Canepa P, Soliman K, Cure J, Li J, Thonhauser T, Chabal YJ. Interaction of Acid Gases SO2 and NO2 with Coordinatively Unsaturated Metal Organic Frameworks: M-MOF-74 (M = Zn, Mg, Ni, Co) Chemistry of Materials. 29: 4227-4235. DOI: 10.1021/Acs.Chemmater.7B00005  0.339
2016 Rong Z, Kitchaev D, Canepa P, Huang W, Ceder G. An efficient algorithm for finding the minimum energy path for cation migration in ionic materials. The Journal of Chemical Physics. 145: 074112. PMID 27544092 DOI: 10.1063/1.4960790  0.533
2016 Berto S, Chiavazza E, Canepa P, Prenesti E, Daniele PG. Assessing the formation of weak sodium complexes with negatively charged ligands Physical Chemistry Chemical Physics. 18: 13118-13125. PMID 27113137 DOI: 10.1039/C6Cp00192K  0.335
2016 Sai Gautam G, Canepa P, Richards WD, Malik R, Ceder G. Role of structural H2O in intercalation electrodes: the case of Mg in nano-crystalline Xerogel-V2O5. Nano Letters. PMID 26982964 DOI: 10.1021/Acs.Nanolett.5B05273  0.79
2016 Liu M, Jain A, Rong Z, Qu X, Canepa P, Malik R, Ceder G, Persson KA. Evaluation of sulfur spinel compounds for multivalent battery cathode applications Energy and Environmental Science. 9: 3201-3209. DOI: 10.1039/C6Ee01731B  0.565
2015 Gautam GS, Canepa P, Malik R, Liu M, Persson K, Ceder G. First-principles evaluation of multi-valent cation insertion into orthorhombic V2O5. Chemical Communications (Cambridge, England). 51: 13619-22. PMID 26225908 DOI: 10.1039/C5Cc04947D  0.526
2015 Canepa P, Jayaraman S, Cheng L, Rajput NN, Richards WD, Gautam GS, Curtiss LA, Persson KA, Ceder G. Elucidating the structure of the magnesium aluminum chloride complex electrolyte for magnesium-ion batteries Energy and Environmental Science. 8: 3718-3730. DOI: 10.1039/C5Ee02340H  0.511
2015 Canepa P, Tan K, Du Y, Lu H, Chabal YJ, Thonhauser T. Structural, elastic, thermal, and electronic responses of small-molecule-loaded metal-organic framework materials Journal of Materials Chemistry A. 3: 986-995. DOI: 10.1039/C4Ta03968H  0.344
2015 Liu M, Rong Z, Malik R, Canepa P, Jain A, Ceder G, Persson KA. Spinel compounds as multivalent battery cathodes: A systematic evaluation based on ab initio calculations Energy and Environmental Science. 8: 964-974. DOI: 10.1039/C4Ee03389B  0.607
2015 Rong Z, Malik R, Canepa P, Sai Gautam G, Liu M, Jain A, Persson K, Ceder G. Materials Design Rules for Multivalent Ion Mobility in Intercalation Structures Chemistry of Materials. 27: 6016-6021. DOI: 10.1021/Acs.Chemmater.5B02342  0.584
2015 Sai Gautam G, Canepa P, Abdellahi A, Urban A, Malik R, Ceder G. The intercalation phase diagram of Mg in V2O5 from first-principles Chemistry of Materials. 27: 3733-3742. DOI: 10.1021/Acs.Chemmater.5B00957  0.516
2015 Canepa P, Gautam GS, Malik R, Jayaraman S, Rong Z, Zavadil KR, Persson K, Ceder G. Understanding the initial stages of reversible Mg deposition and stripping in inorganic nonaqueous electrolytes Chemistry of Materials. 27: 3317-3325. DOI: 10.1021/Acs.Chemmater.5B00389  0.546
2014 Zuluaga S, Canepa P, Tan K, Chabal YJ, Thonhauser T. Study of van der Waals bonding and interactions in metal organic framework materials. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 26: 133002. PMID 24613989 DOI: 10.1088/0953-8984/26/13/133002  0.337
2014 Tan K, Zuluaga S, Gong Q, Canepa P, Wang H, Li J, Chabal YJ, Thonhauser T. Water reaction mechanism in metal organic frameworks with coordinatively unsaturated metal ions: MOF-74 Chemistry of Materials. 26: 6886-6895. DOI: 10.1021/Cm5038183  0.314
2013 Lopez MG, Canepa P, Thonhauser T. NMR study of small molecule adsorption in MOF-74-Mg. The Journal of Chemical Physics. 138: 154704. PMID 23614433 DOI: 10.1063/1.4800952  0.306
2013 Canepa P, Nijem N, Chabal YJ, Thonhauser T. Diffusion of small molecules in metal organic framework materials. Physical Review Letters. 110: 026102. PMID 23383921 DOI: 10.1103/Physrevlett.110.026102  0.346
2013 Canepa P, Chabal YJ, Thonhauser T. When metal organic frameworks turn into linear magnets Physical Review B - Condensed Matter and Materials Physics. 87. DOI: 10.1103/Physrevb.87.094407  0.313
2013 Canepa P, Arter CA, Conwill EM, Johnson DH, Shoemaker BA, Soliman KZ, Thonhauser T. High-throughput screening of small-molecule adsorption in MOF Journal of Materials Chemistry A. 1: 13597-13604. DOI: 10.1039/C3Ta12395B  0.328
2012 Nijem N, Canepa P, Kong L, Wu H, Li J, Thonhauser T, Chabal YJ. Spectroscopic characterization of van der Waals interactions in a metal organic framework with unsaturated metal centers: MOF-74-Mg. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 24: 424203. PMID 23032253 DOI: 10.1088/0953-8984/24/42/424203  0.367
2012 Nijem N, Wu H, Canepa P, Marti A, Balkus KJ, Thonhauser T, Li J, Chabal YJ. Tuning the gate opening pressure of Metal-Organic Frameworks (MOFs) for the selective separation of hydrocarbons. Journal of the American Chemical Society. 134: 15201-4. PMID 22946693 DOI: 10.1021/Ja305754F  0.341
2012 Canepa P, Ugliengo P, Alfredsson M. Elastic and Vibrational Properties of α- and β-PbO. Journal of Physical Chemistry C. 116: 21514-21522. DOI: 10.1021/Jp3036988  0.514
2012 Tan K, Nijem N, Canepa P, Gong Q, Li J, Thonhauser T, Chabal YJ. Stability and hydrolyzation of metal organic frameworks with paddle-wheel SBUs upon hydration Chemistry of Materials. 24: 3153-3167. DOI: 10.1021/Cm301427W  0.316
2011 Canepa P, Schofield E, Chadwick AV, Alfredsson M. Comparison of a calculated and measured XANES spectrum of α-Fe2O3. Physical Chemistry Chemical Physics : Pccp. 13: 12826-34. PMID 21674110 DOI: 10.1039/C1Cp00034A  0.301
2011 Canepa P, Chiatti F, Corno M, Sakhno Y, Martra G, Ugliengo P. Affinity of hydroxyapatite (001) and (010) surfaces to formic and alendronic acids: a quantum-mechanical and infrared study. Physical Chemistry Chemical Physics : Pccp. 13: 1099-111. PMID 21076734 DOI: 10.1039/C0Cp01143F  0.501
2011 Canepa P, Hanson RM, Ugliengo P, Alfredsson M. J-ICE: A new Jmol interface for handling and visualizing crystallographic and electronic properties Journal of Applied Crystallography. 44: 225-229. DOI: 10.1107/S0021889810049411  0.496
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