Literatura académica sobre el tema "Electronic Structure - Functional Materials"
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Artículos de revistas sobre el tema "Electronic Structure - Functional Materials"
Gu, Lin. "Structure and electronic structure of functional materials under symmetric breaking". Microscopy and Microanalysis 25, S2 (agosto de 2019): 2062–63. http://dx.doi.org/10.1017/s1431927619011048.
Texto completoBilal, M., S. Jalali-Asadabadi, Rashid Ahmad y Iftikhar Ahmad. "Electronic Properties of Antiperovskite Materials from State-of-the-Art Density Functional Theory". Journal of Chemistry 2015 (2015): 1–11. http://dx.doi.org/10.1155/2015/495131.
Texto completoMOLENDA, JANINA y JACEK MARZEC. "FUNCTIONAL CATHODE MATERIALS FOR Li-ION BATTERIES — PART III: POTENTIAL CATHODE MATERIALS LixNi1-y-zCoyMnzO2 AND LiMn2O4". Functional Materials Letters 02, n.º 01 (marzo de 2009): 1–7. http://dx.doi.org/10.1142/s1793604709000545.
Texto completoChkhartishvili, Levan. "On Semi-Classical Approach to Materials Electronic Structure". Journal of Material Science and Technology Research 8 (30 de noviembre de 2021): 41–49. http://dx.doi.org/10.31875/2410-4701.2021.08.6.
Texto completoZhang, Min-Ye y Hong Jiang. "Density-functional theory methods for electronic band structure properties of materials". SCIENTIA SINICA Chimica 50, n.º 10 (29 de septiembre de 2020): 1344–62. http://dx.doi.org/10.1360/ssc-2020-0142.
Texto completoRocca, Dario, Ali Abboud, Ganapathy Vaitheeswaran y Sébastien Lebègue. "Two-dimensional silicon and carbon monochalcogenides with the structure of phosphorene". Beilstein Journal of Nanotechnology 8 (29 de junio de 2017): 1338–44. http://dx.doi.org/10.3762/bjnano.8.135.
Texto completoMOLENDA, JANINA y JACEK MARZEC. "FUNCTIONAL CATHODE MATERIALS FOR Li-ION BATTERIES — PART I: FUNDAMENTALS". Functional Materials Letters 01, n.º 02 (septiembre de 2008): 91–95. http://dx.doi.org/10.1142/s1793604708000174.
Texto completoHosokawa, Shinya. "The Structure of Non‐Crystalline Materials and Chalcogenide Functional Materials". physica status solidi (b) 257, n.º 11 (noviembre de 2020): 2000530. http://dx.doi.org/10.1002/pssb.202000530.
Texto completoNieminen, Risto M. "Developments in the density-functional theory of electronic structure". Current Opinion in Solid State and Materials Science 4, n.º 6 (diciembre de 1999): 493–98. http://dx.doi.org/10.1016/s1359-0286(99)00050-9.
Texto completoYoun, Yungsik, Kwanwook Jung, Younjoo Lee, Soohyung Park, Hyunbok Lee y Yeonjin Yi. "Electronic Structures of Nucleosides as Promising Functional Materials for Electronic Devices". Journal of Physical Chemistry C 121, n.º 23 (6 de junio de 2017): 12750–56. http://dx.doi.org/10.1021/acs.jpcc.7b01746.
Texto completoTesis sobre el tema "Electronic Structure - Functional Materials"
Östlin, Andreas. "Electronic structure studies and method development for complex materials". Doctoral thesis, KTH, Tillämpad materialfysik, 2015. http://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-167109.
Texto completoQC 20150522
Wang, Baochang. "Electronic Structure and Optical Properties of Solar Energy Materials". Doctoral thesis, KTH, Flerskalig materialmodellering, 2014. http://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-145625.
Texto completoQC 20140603
Bhandari, Srijana. "AN ELECTRONIC STRUCTURE APPROACH TO UNDERSTAND CHARGE TRANSFERAND TRANSPORT IN ORGANIC SEMICONDUCTING MATERIALS". Kent State University / OhioLINK, 2020. http://rave.ohiolink.edu/etdc/view?acc_num=kent1606836665551399.
Texto completoLu, Haichang. "Electronic structure, defect formation and passivation of 2D materials". Thesis, University of Cambridge, 2019. https://www.repository.cam.ac.uk/handle/1810/284926.
Texto completoZhang, Chunmei. "Computational discovery and design of novel materials from electronic structure engineering". Thesis, Queensland University of Technology, 2020. https://eprints.qut.edu.au/149858/1/Chunmei_Zhang_Thesis.pdf.
Texto completoRamzan, Muhammad. "Structural, Electronic and Mechanical Properties of Advanced Functional Materials". Doctoral thesis, Uppsala universitet, Materialteori, 2013. http://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-205243.
Texto completoHansson, Anders. "Electronic Structure and Transport Properties of Carbon Based Materials". Doctoral thesis, Linköpings universitet, Beräkningsfysik, 2006. http://urn.kb.se/resolve?urn=urn:nbn:se:liu:diva-7544.
Texto completoLi, Zhi. "Electronic Structure Characterization of Hybrid Materials". Scholar Commons, 2014. https://scholarcommons.usf.edu/etd/5060.
Texto completoDziekan, Thomas. "Electronic Transport in Strained Materials". Doctoral thesis, Uppsala University, Department of Physics and Materials Science, 2008. http://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-8471.
Texto completoIn this thesis the conductivity of strained materials has been investigated using density functional theory and a semiclassical transport theory based on the Boltzmann equation.
In transition metals trends are reproduced without adjustable parameters. The introduction of one temperature dependent cross section allowed the reproduction of resistivity trends between 10 and 1000K.
The effect of strain on transition metals in bcc and fcc structure was studied deforming the unit cell along the tetragonal deformation path. The anisotropy of the conductivity varied on wide range of the c/a-ratio. The orbitals at the Fermi level determined the principal behavior. Pairs of elements with permutated number of electrons and holes in the 4d band showed similar behavior. The concept of the tetragonal deformation was also applied on semiconductors.
The deformation of Vanadium in X/V superlattices (X=Cr,~Fe,~Mo) due to Hydrogen loading depends on the properties of X. It was found that counteracting effects due to the presence of Hydrogen influence the conductivity.
It is shown that a small magnetic moment of the V host reduces the hydrogen solubility. Depending on the magnitude of the tetragonal distortion of V, the hydrogen dissolution becomes favored for larger moments.
Finally, extra charge filling of the bandstructure of Cr and Mo decreases the Fermi velocity and increases the density of states at the Fermi energy.
Baum, Zachary John. "Reactivity of Tetraborylmethanes and Electronic Structure Calculations of Dimensionally Reduced Materials". The Ohio State University, 2018. http://rave.ohiolink.edu/etdc/view?acc_num=osu1531736836448112.
Texto completoLibros sobre el tema "Electronic Structure - Functional Materials"
Michael, Springborg, ed. Density-functional methods in chemistry and materials science. Chichester: Wiley, 1997.
Buscar texto completoKakeshita, Tomoyuki. Progress in Advanced Structural and Functional Materials Design. Tokyo: Springer Japan, 2013.
Buscar texto completoElectronic structure of materials. Oxford: Clarendon Press, 1993.
Buscar texto completoPlanes, Antoni, Lluís Mañosa y Avadh Saxena, eds. Magnetism and Structure in Functional Materials. Berlin, Heidelberg: Springer Berlin Heidelberg, 2005. http://dx.doi.org/10.1007/3-540-31631-0.
Texto completoPlanes, Antoni. Magnetism and structure in functional materials. Berlin [u.a.]: Springer, 2010.
Buscar texto completoSen, K. D. Statistical complexity: Applications in electronic structure. Dordrecht: Springer, 2011.
Buscar texto completo1934-, Grasso Vincenzo, ed. Electronic structure and electronic transitions in layered materials. Dordrecht, [Netherlands]: D. Reidel, 1986.
Buscar texto completoGrasso, Vincenzo, ed. Electronic Structure and Electronic Transitions in Layered Materials. Dordrecht: Springer Netherlands, 1986. http://dx.doi.org/10.1007/978-94-009-4542-5.
Texto completoAnisimov, Vladimir y Yuri Izyumov. Electronic Structure of Strongly Correlated Materials. Berlin, Heidelberg: Springer Berlin Heidelberg, 2010. http://dx.doi.org/10.1007/978-3-642-04826-5.
Texto completoGoedecker, S. Low complexity algorithms for density functional electronic structure calculations. Ithaca, N.Y: Cornell Theory Center, Cornell University, 1993.
Buscar texto completoCapítulos de libros sobre el tema "Electronic Structure - Functional Materials"
Nakatani, Naoki, Jia-Jia Zheng y Shigeyoshi Sakaki. "Approach of Electronic Structure Calculations to Crystal". En The Materials Research Society Series, 209–55. Singapore: Springer Nature Singapore, 2023. http://dx.doi.org/10.1007/978-981-99-0260-6_11.
Texto completoSankir, Nurdan Demirci, Erkan Aydin, Esma Ugur y Mehmet Sankir. "Spray Pyrolysis of Nano-Structured Optical and Electronic Materials". En Advanced Functional Materials, 127–81. Hoboken, NJ, USA: John Wiley & Sons, Inc., 2015. http://dx.doi.org/10.1002/9781118998977.ch3.
Texto completoWang, Z. L. y Z. C. Kang. "Electron Crystallography for Structure Analysis". En Functional and Smart Materials, 261–339. Boston, MA: Springer US, 1998. http://dx.doi.org/10.1007/978-1-4615-5367-0_7.
Texto completoSTEIMER, C., H. DIEKER, D. WAMWANGI, W. WELNIC, R. DETEMPLE y M. WUTTIG. "OPTICAL AND ELECTRONIC DATA STORAGE WITH PHASE CHANGE MATERIALS: FROM CRYSTAL STRUCTURES TO KINETICS". En Functional Properties of Nanostructured Materials, 449–54. Dordrecht: Springer Netherlands, 2006. http://dx.doi.org/10.1007/1-4020-4594-8_42.
Texto completoPottker, Walmir E., Patricia de la Presa, Mateus A. Gonçalves, Teodorico C. Ramalho, Antonio Hernando y Felipe A. La Porta. "Nanocrystalline Spinel Manganese Ferrite MnFe2O4: Synthesis, Electronic Structure, and Evaluation of Their Magnetic Hyperthermia Applications". En Functional Properties of Advanced Engineering Materials and Biomolecules, 335–48. Cham: Springer International Publishing, 2021. http://dx.doi.org/10.1007/978-3-030-62226-8_12.
Texto completoAndreoni, Wanda y Paolo Giannozzi. "Structural and Electronic Properties of C60 and C60 Derivatives in the Solid Phases: Calculations Based on Density-Functional Theory". En Physics and Chemistry of Materials with Low-Dimensional Structures, 291–329. Dordrecht: Springer Netherlands, 2000. http://dx.doi.org/10.1007/978-94-011-4038-6_8.
Texto completoUddin, M. Jasim, David O. Olawale, Jin Yan, Justin Moore y Okenwa O. I. Okoli. "Functional Triboluminescent Nanophase for Use in Advanced Structural Materials: A Smart Premise with Molecular and Electronic Definition". En Triboluminescence, 125–45. Cham: Springer International Publishing, 2016. http://dx.doi.org/10.1007/978-3-319-38842-7_6.
Texto completoRoduner, Emil. "Electronic Structure". En Nanoscopic Materials, 41–80. Cambridge: Royal Society of Chemistry, 2007. http://dx.doi.org/10.1039/9781847557636-00041.
Texto completoWarnes, L. A. A. "The Structure of Solids". En Electronic Materials, 1–31. Boston, MA: Springer US, 1990. http://dx.doi.org/10.1007/978-1-4615-6893-3_1.
Texto completoWarnes, L. A. A. "The Structure of Solids". En Electronic Materials, 1–31. London: Macmillan Education UK, 1990. http://dx.doi.org/10.1007/978-1-349-21045-9_1.
Texto completoActas de conferencias sobre el tema "Electronic Structure - Functional Materials"
Patel, A. R. "Exploring Electronic Structure and Optical Properties of 2D Monolayer As2S3 by First-Principle’s Calculation". En Functional Materials and Applied Physics. Materials Research Forum LLC, 2022. http://dx.doi.org/10.21741/9781644901878-8.
Texto completoPatel, V. R. "Structural, Electronic and Optical Properties of 2D Monolayer and Bilayer CoO2". En Functional Materials and Applied Physics. Materials Research Forum LLC, 2022. http://dx.doi.org/10.21741/9781644901878-6.
Texto completoKumar, S. "Theoretical Investigation of Ballistic Electron Transport in Au and Ag Nanoribbons". En Functional Materials and Applied Physics. Materials Research Forum LLC, 2022. http://dx.doi.org/10.21741/9781644901878-5.
Texto completoHoisie, Adolfy, Stefan Goedecker y Jurg Hutter. "Electronic structure of materials using self-interaction corrected density functional theory". En the 1996 ACM/IEEE conference. New York, New York, USA: ACM Press, 1996. http://dx.doi.org/10.1145/369028.369132.
Texto completoGAGLIARDI, LAURA y CHRISTOPHER J. CRAMER. "MODELLING METAL–ORGANIC FRAMEWORKS AND OTHER FUNCTIONAL MATERIALS WITH ELECTRONIC STRUCTURE THEORIES". En 25th Solvay Conference on Chemistry. WORLD SCIENTIFIC, 2021. http://dx.doi.org/10.1142/9789811228216_0010.
Texto completoMishra, P. "Prediction of Electronic and Optical Properties of Boron Selenide BSe (2H) monolayer based on First-Principles". En Functional Materials and Applied Physics. Materials Research Forum LLC, 2022. http://dx.doi.org/10.21741/9781644901878-9.
Texto completoSingh, Birender y Pradeep Kumar. "Density functional study of ACa2Fe4As4F2 (A = K, Rb): Electronic structure, unconventional superconductors". En NATIONAL CONFERENCE ON ADVANCED MATERIALS AND NANOTECHNOLOGY - 2018: AMN-2018. Author(s), 2018. http://dx.doi.org/10.1063/1.5052071.
Texto completoSatish, D. "Ionization Potentials of Nucleic Acid Intercalators". En Functional Materials and Applied Physics. Materials Research Forum LLC, 2022. http://dx.doi.org/10.21741/9781644901878-12.
Texto completoShukla, V. "The Performance Study of CIGS Solar Cell by SCAPS-1D Simulator". En Functional Materials and Applied Physics. Materials Research Forum LLC, 2022. http://dx.doi.org/10.21741/9781644901878-10.
Texto completoWu, Weigen. "Density Functional Theory Calculation on Electronic Structure and Optical Properties of Copper Doped SnO2". En 2015 International Conference on Materials, Environmental and Biological Engineering. Paris, France: Atlantis Press, 2015. http://dx.doi.org/10.2991/mebe-15.2015.123.
Texto completoInformes sobre el tema "Electronic Structure - Functional Materials"
Rez, Peter. Electronic Structure of Lithium Battery Materials. Office of Scientific and Technical Information (OSTI), diciembre de 2007. http://dx.doi.org/10.2172/920363.
Texto completoCar, Roberto. Electronic Structure Theory and Novel Materials. Office of Scientific and Technical Information (OSTI), abril de 2022. http://dx.doi.org/10.2172/1860622.
Texto completoRobertson, Ian M. y Duane D. Johnson. Reversible Hydrogen Storage Materials – Structure, Chemistry, and Electronic Structure. Office of Scientific and Technical Information (OSTI), junio de 2014. http://dx.doi.org/10.2172/1134549.
Texto completoJoyce, John J. Electronic Structure of Plutonium Materials from Photoemission. Office of Scientific and Technical Information (OSTI), febrero de 2016. http://dx.doi.org/10.2172/1239080.
Texto completoIsaacs, Eric B. Electronic structure and phase stability of strongly correlated electron materials. Office of Scientific and Technical Information (OSTI), mayo de 2016. http://dx.doi.org/10.2172/1477791.
Texto completoFreeman, Arthur J., Oleg Y. Kontsevoi, Yuri N. Gornostyrev y Nadezhda I. Medvedeva. Fundamental Electronic Structure Characteristics and Mechanical Behavior of Aerospace Materials. Fort Belvoir, VA: Defense Technical Information Center, abril de 2008. http://dx.doi.org/10.21236/ada480633.
Texto completoNelson, A., J. Dunn, T. van Buuren y R. Smith. Direct Characterization of the Electronic Structure of Shocked and Heated Materials. Office of Scientific and Technical Information (OSTI), febrero de 2004. http://dx.doi.org/10.2172/15009787.
Texto completoWilliams, Timothy J., Ramesh Balakrishnan, Volker Blum, William P. Huhn, Chi Liu, David Mitzi, Yosuke Kanai et al. Electronic Structure-Based Discovery of Hybrid Photovoltaic Materials on Next-Generation HPC Platforms. Office of Scientific and Technical Information (OSTI), septiembre de 2017. http://dx.doi.org/10.2172/1490826.
Texto completoMartins, Henrique, Giuseppina Conti, Lorenz Falling, Arunothai Rattanachata, Qiyang Lu, Laurent Nicolai, I. Cordova et al. Correlating tomographic chemical inhomogeneity and low energy electronic structure in layered quantum materials. Office of Scientific and Technical Information (OSTI), marzo de 2023. http://dx.doi.org/10.2172/1963495.
Texto completoZuo, Zhiqi. A theoretical study of the electronic structure of Invar Fe*3Pt and related materials. Office of Scientific and Technical Information (OSTI), enero de 1997. http://dx.doi.org/10.2172/453769.
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