Search Results - "Postnikov, Andrei"

Effects of Copper Substitution by Alkali Metals on the Properties of Chalcopyrites for Tandem Applications: Insights from Theory by Lafond, Fabien, Baranek, Philippe, Postnikov, Andrei

“…The effect of copper substitution by alkali metals on the properties of chalcopyrite-type materials for tandem applications in photovoltaics is investigated at…”
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A terahertz-vibration to terahertz-radiation converter based on gold nanoobjects: a feasibility study by Moldosanov, Kamil, Postnikov, Andrei

“…The need for practical and adaptable terahertz sources is apparent in the areas of application such as early cancer diagnostics, nondestructive inspection of…”
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Density functional studies of molecular magnets by Postnikov, Andrei V., Kortus, Jens, Pederson, Mark R.

“…After a general introduction into the field of molecular magnets the discussion focuses on a more specific description of their most important representative…”
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Supramolecular Self-Assembled Polynuclear Complexes from Tritopic, Tetratopic, and Pentatopic Ligands:  Structural, Magnetic and Surface Studies by Dey, Subrata K, Abedin, Tareque S. M, Dawe, Louise N, Tandon, Santokh S, Collins, Julie L, Thompson, Laurence K, Postnikov, Andrei V, Alam, Mohammad S, Müller, Paul

“…Polymetallic, highly organized molecular architectures can be created by “bottom-up” self-assembly methods using ligands with appropriately programmed…”
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Calculated vibration spectrum of monoclinic Cu2SnSe3 in comparison with kesterite-type Cu2ZnSnSe4 by Postnikov, Andrei V., Mortazavi Amiri, Narjes B.

“…Frozen‐phonon calculations on structurally related tetragonal Cu2ZnSnSe4 and monoclinic Cu2SnSe3 reveal similarities in the shape and overall composition of…”
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Ab initio Phonons in Kesterite and Stannite-Type Cu2ZnSnSe4 by Postnikov, Andrei

“…On the basis of density functional calculations of electronic structure by the S IESTA method in the local density approximation, the zone-center vibrational…”
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Theoretical Mapping of Interaction between Alkali Metal Atoms Adsorbed on Graphene‐Like BC3 Monolayer by Zhour, Kazem, Postnikov, Andrei

“…First‐principles calculations using density functional theory and two methods in comparison, Quantum ESPRESSO and Siesta, are done on large supercells which…”
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Theoretical Mapping of Interaction between Alkali Metal Atoms Adsorbed on Graphene‐Like BC 3 Monolayer by Zhour, Kazem, Postnikov, Andrei

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First-Principles Study of Hydrogen Dynamics in Monoclinic TiO by Hosseini, S. Vahid, Postnikov, Andrei, Mohammadizadeh, Mohammad Reza

“…The existence of intrinsic vacancies in cubic (monoclinic) TiO suggests opportunity for hydrogen absorption, which was addressed in recent experiments. In the…”
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STM/STS Observation of Polyoxoanions on HOPG Surfaces:  the Wheel-Shaped [Cu20Cl(OH)24(H2O)12(P8W48O184)]25- and the Ball-Shaped [{Sn(CH3)2(H2O)}24{Sn(CH3)2}12(A-PW9O34)12]36 by Alam, Mohammad S, Dremov, Viacheslav, Müller, Paul, Postnikov, Andrei V, Mal, Sib Sankar, Hussain, Firasat, Kortz, Ulrich

“…A combination of scanning tunneling microscopy (STM) and scanning tunneling spectroscopy (STS) techniques have been performed on the wheel-shaped…”
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Star-Shaped Molecule of MnII4O6 Core with an St = 10 High-Spin State. A Theoretical and Experimental Study with XPS, XMCD, and Other Magnetic Methods by KHANRA, Sumit, KUEPPER, Karsten, PRINZ, Manuel, RAEKERS, Michael, VOGET, Sebastian, POSTNIKOV, Andrei V., DE GROOT, Frank M. F., GEORGE, Simon J., COLDEA, Marin, NEUMANN, Manfred, CHAUDHURI, Phalguni

“…We report a comprehensive study of the electronic and magnetic properties of a star-shaped molecule comprising a MnII4O6 core. One feature of this compound is…”
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The Phonon Percolation Scheme for Alloys: Extension to the Entire Lattice Dynamics and Pressure Dependence by Pradhan, Gopal Krushna, Narayana, Chandrabhas, Rao, Mala Narasappaya, D'Astuto, Matteo, Chaplot, Samrath Lal, Pagès, Olivier, Breidi, A., Souhabi, Jihane, Postnikov, Andrei, Deb, Sudip Kumar, Ganguli, Tapas, Polian, Alain, Bhalerao, Gopalkrishna, Shukla, Abhay, Firszt, Franciszek, Paszkowicz, Wojciech

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The Phonon Percolation Scheme for Alloys: Extension to the Entire Lattice Dynamics and Pressure Dependence by Pradhan, Gopal Krushna, Narayana, Chandrabhas, Rao, Mala Narasappaya, D'Astuto, Matteo, Chaplot, Samrath Lal, Pagès, Olivier, Breidi, A, Souhabi, Jihane, Postnikov, Andrei, Deb, Sudip Kumar, Ganguli, Tapas, Polian, Alain, Bhalerao, Gopalkrishna, Shukla, Abhay, Firszt, Franciszek, Paszkowicz, Wojciech

“…We explore two basic issues behind the 1-bond $\rightarrow$ 2-mode percolation scheme that has recently lead to a unification of the classification of the…”
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Calculated vibration spectrum of calcium hexahydroxodizincate dihydrate (qatranaite) by Postnikov, Andrei, Majtyka-Piłat, Anna, Chrobak, Dariusz, Deniszczyk, Józef

“…On the basis of first-principles electronic structure calculations, crystallographic parameters have been refined for calcium hydroxozincate (Qatranaite…”
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First-principles investigation of CO2, CO, and O2 adsorptions on the (001)-reconstructed surfaces of CsPbX3 (X = Cl, Br, and I) perovskites by Mishra, Arpit, Baranek, Philippe, Postnikov, Andrei

“…•First-principles approach of the precursor phenomena of inorganic perovskites ageing.•Effect of phonon instabilities on reconstruction of perovskites (001)…”
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Quantum simulation of the ground-state Stark effect in small molecules: a case study using IBM Q by Tavares, Carlos, Oliveira, Sofia, Fernandes, Vitor, Postnikov, Andrei, Vasilevskiy, Mikhail I.

“…As quantum computing approaches its first commercial implementations, quantum simulation emerges as a potentially ground-breaking technology for several…”
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Magnetic properties of small Pt-capped Fe, Co, and Ni clusters: A density functional theory study by Sahoo, Sanjubala, Hucht, Alfred, Gruner, Markus E., Rollmann, Georg, Entel, Peter, Postnikov, Andrei, Ferrer, Jaime, Fernández-Seivane, Lucas, Richter, Manuel, Fritsch, Daniel, Sil, Shreekantha

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Terahertz-to-infrared converters for imaging the human skin cancer: challenges and feasibility by Moldosanov, Kamil, Bykov, Alexander, Kairyev, Nurlanbek, Khodzitsky, Mikhail, Kropotov, Grigory, Lelevkin, Valery, Meglinski, Igor, Postnikov, Andrei, Shakhmin, Alexey

“…Terahertz (THz) medical imaging is a promising noninvasive technique for monitoring the skin's conditions, early detection of the human skin cancer, and…”
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Calculated vibration spectrum of monoclinic Cu sub(2) Sn Se sub(3) in comparison with kesterite-type Cu sub(2) Zn Sn Se sub(4) by Postnikov, Andrei V, Mortazavi Amiri, Narjes B

“…Frozen-phonon calculations on structurally related tetragonal Cu sub(2)ZnSnSe sub(4) and monoclinic Cu sub(2)SnSe sub(3) reveal similarities in the shape and…”
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Calculated vibration spectrum of monoclinic Cu 2 SnSe 3 in comparison with kesterite-type Cu 2 ZnSnSe 4 by Postnikov, Andrei V., Mortazavi Amiri, Narjes B.

“…Frozen-phonon calculations on structurally related tetragonal Cu2ZnSnSe4 and monoclinic Cu2SnSe3 reveal similarities in the shape and overall composition of…”
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