المؤلفون: Mattila, Nina, Karttunen, Antti J.

المساهمون: Department of Chemistry and Materials Science, School common, CHEM, Inorganic Materials Modelling, Aalto-yliopisto, Aalto University

مصطلحات موضوعية: density functional calculations, electronic properties, lattice dynamics, layered compounds, magnetism

وصف الملف: application/pdf

العلاقة: Physica Status Solidi (B) Basic Research; Volume 259, issue 4; Mattila, N & Karttunen, A J 2022, ' Electronic Properties and Lattice Dynamics of Li x CoO 2 and Na x CoO 2 (x = 0, 0.5, 1) Studied by Hybrid Density Functional Theory ', Physica Status Solidi (B) Basic Research, vol. 259, no. 4, 2100665 . https://doi.org/10.1002/pssb.202100665Test; PURE UUID: 82bf2190-0a78-4f2f-afec-b4bf094235e0; PURE ITEMURL: https://research.aalto.fi/en/publications/82bf2190-0a78-4f2f-afec-b4bf094235e0Test; PURE LINK: http://www.scopus.com/inward/record.url?scp=85124903024&partnerID=8YFLogxKTest; PURE FILEURL: https://research.aalto.fi/files/82083417/CHEM_Mattila_and_Karttunen_Electronic_Properties_and_Lattice_2022_Physica_Status_Solidi_b.pdfTest; https://aaltodoc.aalto.fi/handle/123456789/114046Test; URN:NBN:fi:aalto-202204282933

الإتاحة: https://doi.org/10.1002/pssb.202100665Test
https://aaltodoc.aalto.fi/handle/123456789/114046Test

المؤلفون: Yang, Qiang, Hu, Xiaohui, Shen, Xiaodong, Krasheninnikov, Arkady V., Chen, Zhongfang, Sun, Litao

المساهمون: Nanjing Tech University, Department of Applied Physics, University of Puerto Rico, Southeast University, Nanjing, Aalto-yliopisto, Aalto University

مصطلحات موضوعية: CrImonolayer, electronic properties, ferromagnetism, magnetic properties, transition-metal adsorption

العلاقة: ACS Applied Materials and Interfaces; Volume 13, issue 18; Yang , Q , Hu , X , Shen , X , Krasheninnikov , A V , Chen , Z & Sun , L 2021 , ' Enhancing Ferromagnetism and Tuning Electronic Properties of CrI 3 Monolayers by Adsorption of Transition-Metal Atoms ' , ACS Applied Materials and Interfaces , vol. 13 , no. 18 , pp. 21593-21601 . https://doi.org/10.1021/acsami.1c01701Test; PURE UUID: 4e05b905-59c1-46ea-bf8d-3f1e09218d81; PURE ITEMURL: https://research.aalto.fi/en/publications/4e05b905-59c1-46ea-bf8d-3f1e09218d81Test; PURE LINK: http://www.scopus.com/inward/record.url?scp=85105906355&partnerID=8YFLogxKTest; PURE LINK: https://www.hzdr.de/publications/Publ-32699Test; https://aaltodoc.aalto.fi/handle/123456789/113105Test; URN:NBN:fi:aalto-202202231993

الإتاحة: https://doi.org/10.1021/acsami.1c01701Test
https://aaltodoc.aalto.fi/handle/123456789/113105Test

المؤلفون: Liu, Lifei, Hu, Xiaohui, Wang, Yifeng, Krasheninnikov, Arkady V., Chen, Zhongfang, Sun, Litao

المساهمون: Nanjing Tech University, Department of Applied Physics, University of Puerto Rico, Southeast University, Nanjing, Aalto-yliopisto, Aalto University

مصطلحات موضوعية: CrGeTe, Curie temperature, density functional theory calculations, electronic properties, magnetic properties, strain engineering

العلاقة: Nanotechnology; Volume 32, issue 48; Liu , L , Hu , X , Wang , Y , Krasheninnikov , A V , Chen , Z & Sun , L 2021 , ' Tunable electronic properties and enhanced ferromagnetism in Cr 2 Ge 2 Te 6 monolayer by strain engineering ' , Nanotechnology , vol. 32 , no. 48 , 485408 . https://doi.org/10.1088/1361-6528/ac1a94Test; PURE UUID: 41b955e3-56cc-4776-8f95-b01e25802bc1; PURE ITEMURL: https://research.aalto.fi/en/publications/41b955e3-56cc-4776-8f95-b01e25802bc1Test; PURE LINK: http://www.scopus.com/inward/record.url?scp=85115214425&partnerID=8YFLogxKTest; PURE LINK: https://www.hzdr.de/publications/Publ-33830Test; https://aaltodoc.aalto.fi/handle/123456789/113101Test; URN:NBN:fi:aalto-202202231989

الإتاحة: https://doi.org/10.1088/1361-6528/ac1a94Test
https://aaltodoc.aalto.fi/handle/123456789/113101Test

المؤلفون: Zhang, Chuanfang (John), Cui, Linfan, Abdolhosseinzadeh, Sina, Heier, Jakob

المساهمون: Department of Electronics and Nanoengineering, Harri Lipsanen Group, Swiss Federal Laboratories for Materials Science and Technology, Ècole Polytechnique Fédérale de Lausanne, Aalto-yliopisto, Aalto University

مصطلحات موضوعية: flexible electronics, Li-S battery, MXene, polysulfides, shuttling, two dimensional materials, TRANSITION-METAL CARBIDES, LONG CYCLE-LIFE, ELECTRONIC-PROPERTIES, POLYSULFIDE RESERVOIR, COMPOSITE SEPARATOR, MOLYBDENUM CARBIDE, CATHODE MATERIAL, ENERGY-STORAGE, LAYERED TI3C2, S BATTERIES

وصف الملف: 613-638; application/pdf

العلاقة: InfoMat; Volume 2, issue 4; Zhang, C, Cui, L, Abdolhosseinzadeh, S & Heier, J 2020, ' Two-dimensional MXenes for lithium-sulfur batteries ', InfoMat, vol. 2, no. 4, pp. 613-638 . https://doi.org/10.1002/inf2.12080Test; PURE UUID: 789c8b18-329c-4939-8984-6dc525304c3b; PURE ITEMURL: https://research.aalto.fi/en/publications/789c8b18-329c-4939-8984-6dc525304c3bTest; PURE FILEURL: https://research.aalto.fi/files/51678866/Zhang_Two_dimensional_MXenes.pdfTest; https://aaltodoc.aalto.fi/handle/123456789/46796Test; URN:NBN:fi:aalto-202010025761

الإتاحة: https://doi.org/10.1002/inf2.12080Test
https://aaltodoc.aalto.fi/handle/123456789/46796Test

المؤلفون: Srivastava, Divya, Kuklin, Mikhail S., Ahopelto, Jouni, Karttunen, Antti J.

المساهمون: Department of Chemistry and Materials Science, Inorganic Materials Modelling, VTT Technical Research Centre of Finland, Aalto-yliopisto, Aalto University

مصطلحات موضوعية: Band structure, Cellulose, Density functional calculations, Density of states, Electronic properties, Quantum chemistry

وصف الملف: application/pdf

العلاقة: Carbohydrate Polymers; Volume 243; Srivastava, D, Kuklin, M S, Ahopelto, J & Karttunen, A J 2020, ' Electronic band structures of pristine and chemically modified cellulose allomorphs ', Carbohydrate Polymers, vol. 243, 116440 . https://doi.org/10.1016/j.carbpol.2020.116440Test; PURE UUID: 81931a6b-54f8-453b-b726-41e73696dc27; PURE ITEMURL: https://research.aalto.fi/en/publications/81931a6b-54f8-453b-b726-41e73696dc27Test; PURE LINK: http://www.scopus.com/inward/record.url?scp=85085750724&partnerID=8YFLogxKTest; PURE FILEURL: https://research.aalto.fi/files/43529988/CHEM_Srivastava_et_al_Electronic_band_structures_Carbohydrate_Polymers.pdfTest; https://aaltodoc.aalto.fi/handle/123456789/45165Test; URN:NBN:fi:aalto-202006254122

الإتاحة: https://doi.org/10.1016/j.carbpol.2020.116440Test
https://aaltodoc.aalto.fi/handle/123456789/45165Test

المؤلفون: Mehta, Mannan, Krishnamurthy, Satheesh, Basu, Suddhasatwa, Nixon, Tony P., Singh, Aadesh P.

المساهمون: Open University Milton Keynes, Indian Institute of Technology Delhi, Department of Neuroscience and Biomedical Engineering, Aalto-yliopisto, Aalto University

مصطلحات موضوعية: BiVO, Core-shell heterostructures, Electronic properties, Nano TiO, Optical, Photocatalysis

وصف الملف: application/pdf

العلاقة: Materials Today Chemistry; Volume 17; Mehta , M , Krishnamurthy , S , Basu , S , Nixon , T P & Singh , A P 2020 , ' BiVO 4 /TiO 2 core-shell heterostructure : wide range optical absorption and enhanced photoelectrochemical and photocatalytic performance ' , Materials Today Chemistry , vol. 17 , 100283 . https://doi.org/10.1016/j.mtchem.2020.100283Test; PURE UUID: d3d22e70-f6af-4210-932e-ac872e59707c; PURE ITEMURL: https://research.aalto.fi/en/publications/d3d22e70-f6af-4210-932e-ac872e59707cTest; PURE LINK: http://www.scopus.com/inward/record.url?scp=85085241782&partnerID=8YFLogxKTest; PURE FILEURL: https://research.aalto.fi/files/43513957/SCI_Mehta_BiVO4TiO2_core_shell_heterostructure_wide_range_optical_absorption_and_enhanced_photoelectrochemical_and_photocatalytic_performance_002_.pdfTest; https://aaltodoc.aalto.fi/handle/123456789/45221Test; URN:NBN:fi:aalto-202006254178

الإتاحة: https://doi.org/10.1016/j.mtchem.2020.100283Test
https://aaltodoc.aalto.fi/handle/123456789/45221Test

المؤلفون: Mackenzie, David M. A., Panchal, Vishal, Corte-Leon, Hector, Petersen, Dirch H., Kazakova, Olga

المساهمون: Harri Lipsanen Group, National Physical Laboratory (NPL), Technical University of Denmark, Department of Electronics and Nanoengineering, Aalto-yliopisto, Aalto University

مصطلحات موضوعية: scanning gate microscopy, epitaxial graphene, finite element simulations, KPFM, electric field effect, electrical sensitivity, ELECTRONIC-PROPERTIES, BILAYER GRAPHENE, SUBSTRATE, BANDGAP, SURFACE

وصف الملف: application/pdf

العلاقة: info:eu-repo/grantAgreement/EC/H2020/785219/EU//GrapheneCore2; 2D Materials; Volume 6, issue 2; Mackenzie , D M A , Panchal , V , Corte-Leon , H , Petersen , D H & Kazakova , O 2019 , ' Qualitative analysis of scanning gate microscopy on epitaxial graphene ' , 2D Materials , vol. 6 , no. 2 , 025023 . https://doi.org/10.1088/2053-1583/ab0572Test; PURE UUID: deeae099-d83e-4b0a-862b-cd1fb1b4d051; PURE ITEMURL: https://research.aalto.fi/en/publications/deeae099-d83e-4b0a-862b-cd1fb1b4d051Test; PURE LINK: http://www.scopus.com/inward/record.url?scp=85065287299&partnerID=8YFLogxKTest; PURE FILEURL: https://research.aalto.fi/files/32688080/ELEC_Mackenzie_Qualitative_analysis_2D_Mater.pdfTest; https://aaltodoc.aalto.fi/handle/123456789/37394Test; URN:NBN:fi:aalto-201904022525

الإتاحة: https://doi.org/10.1088/2053-1583/ab0572Test
https://aaltodoc.aalto.fi/handle/123456789/37394Test

المؤلفون: Hooda, M. K., Tripathi, T. S., Yadav, C. S.

المساهمون: Indian Institute of Technology Mandi, Department of Chemistry and Materials Science, Department of Neuroscience and Biomedical Engineering, Aalto-yliopisto, Aalto University

مصطلحات موضوعية: Electrical transport, Electronic properties, Transition metal alloys and compounds

وصف الملف: application/pdf

العلاقة: Journal of Alloys and Compounds; Volume 785; Hooda , M K , Tripathi , T S & Yadav , C S 2019 , ' Semiconducting nature and thermal transport studies of ZrTe 3 ' , Journal of Alloys and Compounds , vol. 785 , pp. 603-609 . https://doi.org/10.1016/j.jallcom.2019.01.136Test; PURE UUID: b1762b2f-f04f-45da-b936-5a7908e1f547; PURE ITEMURL: https://research.aalto.fi/en/publications/b1762b2f-f04f-45da-b936-5a7908e1f547Test; PURE LINK: http://www.scopus.com/inward/record.url?scp=85060345453&partnerID=8YFLogxKTest; PURE FILEURL: https://research.aalto.fi/files/36772552/CHEM_Trpiathi_et_al_SEmiconducting_Nature_2019_J._of_Alloys.pdfTest; https://aaltodoc.aalto.fi/handle/123456789/40336Test; URN:NBN:fi:aalto-201909205362

الإتاحة: https://doi.org/10.1016/j.jallcom.2019.01.136Test
https://aaltodoc.aalto.fi/handle/123456789/40336Test

المؤلفون: Jones, Robert O., Ahlstedt, O., Akola, J., Ropo, M.

المساهمون: Forschungszentrum Jülich, Tampere University of Technology, Department of Applied Physics, Aalto-yliopisto, Aalto University

مصطلحات موضوعية: GROUP-V ELEMENTS, AB-INITIO, PHOTOELECTRON-SPECTROSCOPY, ELECTRONIC-PROPERTIES, CRYSTAL-STRUCTURE, PHASE-TRANSITION, TEMPERATURE-DEPENDENCE, MOLECULAR-DYNAMICS, BLACK PHOSPHORUS, DEGREES K

وصف الملف: application/pdf

العلاقة: Journal of Chemical Physics; Volume 146, issue 19; Jones , R O , Ahlstedt , O , Akola , J & Ropo , M 2017 , ' Density functional study of structure and dynamics in liquid antimony and Sb-n clusters ' , Journal of Chemical Physics , vol. 146 , no. 19 , 194502 , pp. 1-11 . https://doi.org/10.1063/1.4983219Test; PURE UUID: 34108af0-c624-4285-994d-880c61b48890; PURE ITEMURL: https://research.aalto.fi/en/publications/34108af0-c624-4285-994d-880c61b48890Test; PURE FILEURL: https://research.aalto.fi/files/40327856/1.4983219.pdfTest; https://aaltodoc.aalto.fi/handle/123456789/42496Test; URN:NBN:fi:aalto-202001171611

الإتاحة: https://doi.org/10.1063/1.4983219Test
https://aaltodoc.aalto.fi/handle/123456789/42496Test

المؤلفون: Berseneva, Natalia

المساهمون: Krasheninnikov, Arkady V., Dr., Helmholtz-Zentrum Dresden-Rossendorf, Institute of Ion Beam Physics and Materials Research, Germany, Komsa, Hannu-Pekka, Dr., University of Oulu, Finland, Puska, Martti, Prof., Aalto University, Finland, Perustieteiden korkeakoulu, School of Science, Teknillisen fysiikan laitos, Department of Applied Physics, Rinke, Patrick, Assoc. Prof., Aalto University, Department of Applied Physics, Finland, Computational Electronic Structure Theory (CEST) group, Aalto-yliopisto, Aalto University

مصطلحات موضوعية: Physics, hexagonal boron nitride, graphene, mixed BCN materials, electronic properties, mechanical properties, defects, interaction, density functional theory

وصف الملف: application/pdf

العلاقة: Aalto University publication series DOCTORAL DISSERTATIONS; 62/2021; [Publication 1]: N. Berseneva, A. V. Krasheninnikov, and R. M. Nieminen. Mechanisms of Postsynthesis Doping of Boron Nitride Nanostructures with Carbon from First-Principles Simulations. Physical Review Letters, 107, 3, 035501, July 2011. Full text in Acris/Aaltodoc: http://urn.fi/URN:NBN:fi:aalto-201508314154Test. DOI:10.1103/physrevlett.107.035501; [Publication 2]: N. Berseneva, A. Gulans, A. V. Krasheninnikov, and R. M. Nieminen. Electronic structure of boron nitride sheets doped with carbon from first-principles calculations. Physical Review B, 87, 3, 035404, January 2013. Full text in Acris/Aaltodoc: http://urn.fi/URN:NBN:fi:aalto-201507273887Test. DOI:10.1103/physrevb.87.035404; [Publication 3]: H.-P. Komsa, N. Berseneva, A. V. Krasheninnikov, and R. M. Nieminen. Charged Point Defects in the Flatland: Accurate Formation Energy Calculations in Two-Dimensional Materials. Physical Review X, 4, 3, 031044, September 2014. Full text in Acris/Aaltodoc: http://urn.fi/URN:NBN:fi:aalto-201508314147Test. DOI:10.1103/physrevx.4.031044; [Publication 4]: A. V. Krasheninnikov, N. Berseneva, D. G. Kvashnin, J. Enkovaara, T. Björkman, P. Sorokin, D. Shtansky, R. M. Nieminen, and D. Golberg. Toward Stronger Al-BN Nanotube Composite Materials: Insights into Bonding at the Al/BN Interface from First-Principles Calculations. The Journal of Physical Chemistry C, 118, 46, 26894, October 2014. DOI:10.1021/jp509505j; [Publication 5]: N. Berseneva, H.-P. Komsa, V. Vierimaa, T. Björkman, Z. Fan, A. Harju, M. Todorovic´, A.V. Krasheninnikov, and R.M. Nieminen. Substitutional carbon doping of free-standing and Ru-supported BN sheets: a first-principles study. Journal of Physics: Condensed Matter, 29, 41, 415301, September 2017. DOI:10.1088/1361-648X/aa807c; 1799-4942 (electronic); 1799-4934 (printed); 1799-4934 (ISSN-L); https://aaltodoc.aalto.fi/handle/123456789/107774Test; URN:ISBN:978-952-64-0365-6

الإتاحة: https://doi.org/10.1103/physrevlett.107.035501Test
https://doi.org/10.1103/physrevb.87.035404Test
https://doi.org/10.1103/physrevx.4.031044Test
https://doi.org/10.1021/jp509505jTest
https://doi.org/10.1088/1361-648X/aa807cTest
https://aaltodoc.aalto.fi/handle/123456789/107774Test