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Научни приноси на доц. д-р Християн Александров

Author ID (SCOPUS):56926848100

Research ID (Web of Science):R-4055-2016

ORCID ID:0000-0001-8311-5193
Доклад на конференция
1 Hristiyan Aleksandrov, Modeling of zeolite and metal systems relevant for catalytic applications: a theoretical study, Workshop “Advanced Materials” , България/Поморие 2017 2017
2 Hristiyan Aleksandrov, Quantum-chemical modeling of zeolites containing transition metal ions, SCIENTIFIC CONFERENCE “30 YEARS CHEMISTRY EDUCATION” IN SOUTH-WEST UNIVERSITY “NEOFIT RILSKI”, България/Благоеврад 2017 2017
3 Hristiyan Aleksandrov, Modeling of spectral and catalytic properties of supported transition metal species, 16th International Conference on Theoretical Aspects of Catalysis, Полша 2016 2016
4 Hristiyan Aleksandrov, Simulations of IR vibrational frequencies of CO adsorbed on isolated and supported on ceria platinum species: a density functional study, 4th General Meeting COST CM1104, Германия 2016 2016
5 Hristiyan Aleksandrov, Modeling of transition metal nanoparticles relevant for catalytic applications, International Mini-Symposium “Theoretical Modelling of Nanoparticulate Materials: Theory Catching up with Experiment”, Celebrating the 60th birthday of Prof. Konstantin M. Neyman, Испания/Barcelona (Spain) 2016 2016
6 Hristiyan Aleksandrov, Quantum chemical modeling of sorbents, catalysts and catalytic reactions, Workshop “Advanced functional materials”, България/Правец 2016 2016
7 Hristiyan Aleksandrov, Modeling of periodic systems, Invited lecture at Suranaree University of Technology, Nakhon Ratchasima (Thailand), 24.02.2015 2015 2015
8 Hristiyan Aleksandrov, Elucidation of the vibrational spectra of CO adsorbed on different platinum species on ceria, COST CM1104 WG3: Small workshop, Palermo (Italy), 28th and 29th April 2015 2015 2015
9 Hristiyan Aleksandrov, Relative stability of mononuclear platinum species supported on nanoparticulate ceria and adsorption of CO on them, WG3 meeting of the COST Action CM1104, Prague (Czech republic), 08-09.05.2014 2014 2014
10 Hristiyan Aleksandrov, Framework stability of heteroatom substituted Ge-silicate ITQ-44: a periodic DFT study, 5th International Symposium “Advanced Micro- & Mesoporous Materials”, Golden Sands (Bulgaria) 2013 2013
11 Hristiyan Aleksandrov, Computational Modeling of the Influence of Surface H and/or Subsurface C Atoms on Hydrogen Absorption Capacity of Pd Nanoparticles, The 3rd Annual World Congress of Nano Science & Technology, Xian (China), 26-28 September 2013 2013
12 Християн Александров, Transformations of hydrocarbons on transition metal surfaces and nanoparticles, Invited seminar at Beijing Computational Science Research Center, Beijing (China), 23/09/2013 2013 2013
13 Hristiyan Aleksandrov, Tuning the Surface Chemistry of Hydrogen on Pd Surface by Atomic C, Workshop “Materials for Clean Energy and Optics”, Pravets (Bulgaria) 2013 2013
14 Християн Александров, Трансформации на етилен върху Pd(111) и Pt(111) - теоретично изследване, V Научна конференция „Предизвикателства пред съвременната химия и фармация”, София, 20.11.2013 2013 2013
15 Християн Александров, Realistic models of palladium nanoparticles for hydrogen storage, First International Training School on NanoAlloys (ISNA), Tirrenia, Pisa (Italy) 2012 2012
16 Християн Александров, Modification of Palladium Nanoparticles by the Surface and Subsurface H and C species, HPC-Europa2 Transnational Access Meeting (TAM), Amsterdam (Netherlands), 25-27 June 2012 2012
17 Християн Александров, Tuning surface chemistry of Pd by atomic C and H: A microscopic picture, III Jornada IQTC, Barcelona (Spain) 2012 2012
18 Християн Александров, Realistic first principles description of Pd nanoparticles applied in catalysis and energy technologies, CECAM workshop: "Modelling realistic inorganic nanostructures: bridging the gap between theory and experiment", Zaragoza (Spain), 5-7 September 2012 2012
19 Християн Александров, Development of Models for Density Functional Studies of Hydrogen Storage in Palladium Nanostructures, TAM (Transnational Access Meeting) HPC-Europa2, Barcelona (Spain) 2012 2012
20 Християн Александров, Computational study of the capability of transition metal exchanged zeolites for purification of hydrogen for fuel cell applications, 5th International FEZA Conference, Valencia (Spain) 2011 2011
21 Hristiyan A. Aleksandrov, Transformations of Ethylene on Pd(111) and Pt(111) Surfaces, Invited seminar at University of Barcelona, Barcelona (Spain), 08/02/2011 2011 2011
22 Християн Александров, CO adsorption on Ni-exchanged zeolites: DFT and FTIR study, Fourth Humboldt Conference on Computational Chemistry, Varna 2010 2010
23 Hristiyan Aleksandrov, Ethylene decomposition at surfaces of late transition metals, International Workshop on Computational Catalysis, Catalysis Research Centre, TU München, Garching (Germany) 2009 2009
24 Hristiyan Aleksandrov, Ethylene conversion to ethylidyne on Pd(111) and Pt(111):kinetic Monte Carlo simulations, Invited seminar at Technische Universität München, Garching (Germany), 31/08/2009 2009 2009
Книга
Sergey M. Kozlov, Hristiyan A. Aleksandrov, Lyudmila V. Moskaleva, Marcus Bäumer, Konstantin M. Neyman, From Static to Reacting Systems on Transition-Metal Surfaces, Elsevier, Oxford, Ref, Рецензирано 2013
Научен проект
1 Християн Александров, Постигане на оптимална среда за обучение, научни изследвания, иновации и устойчиво развитие на човешкия капитал в сферата на химическите науки: Адаптиране на образованието днес за утрешния ден, Член, , Номер на договора:BG05M2OP001-2.009-0028 2017
2 Християн Александров, Дизайн на нови мезопорести нанокомпозитни лекарство-доставящи системи за цитостатици и модулатори на множествената лекарствена резистентност , Член, , Номер на договора:ДН09/18/17.12.2016г. 2016
3 Християн Александров, Интергриран подход за получаване на чист водород с оползотворяване на парниковия газ СО2, Член, , Номер на договора:ДН09/5/15.12.2016г. 2016
4 Християн Александров, Порести материали като адсорбенти за пречистване на горивата на бъдещето (метан и водород), Член, , Номер на договора:ДФНИ Т02/20 2014
5 Християн Александров, “Развитие на научния потенциал на Химическия факултет на Софийския университет в областа на съвременните функционални материали за успешно участие в научни изследвания на световно ниво” (Beyond Everest), Член, European Union 2011
6 Християн Александров, Developing models for density functional studies of hydrogen storage in metals to account for the effect of nanostructuring, Ръководител, Ministry of Education (Spain) 2011
7 Християн Александров, Получаване на алтернативни горива от възобновяеми въглерод-съдържащи суровини: реформинг на биогаз до водород, Член, Фонд Научни изследвания 2009
Научно ръководство
Георги Вайсилов и Християн Александров, „Квантово-химично моделиране на хетерогенни каталитични системи на основата на цериев диоксид“, Софийски Университет, Факултет по химия и фармация дисертация д-р:Искра Зарева Колева 2017
Статия в научно списание
1 Mihail Y. Mihaylov, Elena Z. Ivanova, Hristiyan A. Aleksandrov, Petko St. Petkov, Georgi N. Vayssilov, Konstantin I. Hadjiivanov, Species formed during NO adsorption and NO+O2 co-adsorption on ceria: A combined FTIR and DFT study, Journal of Molecular Catalysis. A, Chemical, 2018, doi:https://doi.org/10.1016/j.mcat.2017.11.030, Ref IF/IR 2018
2 Hristiyan A. Aleksandrov, Sergey M. Kozlov, Georgi N. Vayssilov, Konstantin M. Neyman, Approaching complexity of alkyl hydrogenation on Pd via density-functional modelling, Physical Chemistry Chemical Physics, том:19, 2017, стр.21514-21521, Ref IF/IR, в сътрудничество с чуждестранни учени 2017
3 Iskra Z. Koleva, Hristiyan A. Aleksandrov, Georgi N. Vayssilov, Decomposition behavior of platinum clusters supported on ceria and γ-alumina in the presence of carbon monoxide, Catalysis Science & Technology, том:7, 2017, стр.734-742, Ref IF/IR, PhD 2017
4 Hristiyan A. Aleksandrov, Nikolaos Pegios, Regina Palkovits, Kalin Simeonov, Georgi N. Vayssilov, Elucidation of the higher coking resistance of small versus large nickel nanoparticles in methane dry reforming via computational modeling, Catalysis Science & Technology, том:7, 2017, стр.3339-3347, Ref IF/IR, в сътрудничество с чуждестранни учени 2017
5 Julien Grand, Siddulu Naidu Talapaneni, Aurélie Vicente, Christian Fernandez, Eddy Dib, Hristiyan A. Aleksandrov, Georgi N. Vayssilov, Richard Retoux, Philippe Boullay, Jean-Pierre Gilson, Valentin Valtchev, Svetlana Mintova, One-pot synthesis of silanol-free nanosized MFI zeolite, Nature Materials, том:16, 2017, стр.1010-1015, Ref IF/IR, в сътрудничество с чуждестранни учени 2017
6 Olaf Brummel, Fabian Waidhas, Ivan Khalakhan, Mykhailo Vorokhta, Martin Dubau, Gábor Kovács, Hristiyan A. Aleksandrov, Konstantin M. Neyman, Vladimir Matolín, Jörg Libuda, Structural transformations and adsorption properties of PtNi nanoalloy thin film electrocatalysts prepared by magnetron co-sputtering, Electrochimica Acta, том:251, 2017, стр.427-441, Ref IF/IR, в сътрудничество с чуждестранни учени 2017
7 Konstantin Khivantsev, Artem Vityuk, Hristiyan A. Aleksandrov, Georgi N. Vayssilov, Douglas Blom, Oleg S. Alexeev, Michael D. Amiridis, Synthesis, Modeling, and Catalytic Properties of HY Zeolite-Supported Rhodium Dinitrosyl Complexes, ACS Catalysis, том:7, 2017, стр.5965-5982, Ref IF/IR, в сътрудничество с чуждестранни учени 2017
8 Hristiyan A. Aleksandrov, Konstantin M. Neyman, Konstantin I. Hadjiivanov, Georgi N. Vayssilov, Can the state of platinum species be unambiguously determined by the stretching frequency of an adsorbed CO probe molecule?, Physical Chemistry Chemical Physics, том:18, 2016, стр.22108-22121, Ref IF/IR, в сътрудничество с чуждестранни учени 2016
9 Margarita Popova, Ivalina Trendafilova, Agnes Szegedi, Judith Mihaly, Peter Nemeth, Sylvia G. Marinova, Hristiyan A. Aleksandrov, Georgi N. Vayssilov, Experimental and theoretical study of quercetin complexes formed on pure silica and Zn-modified mesoporous MCM-41 and SBA-16 materials, Microporous and Mesoporous Materials, том:228, 2016, стр.256-265, Ref IF/IR, в сътрудничество с чуждестранни учени 2016
10 Olaf Brummel, Fabian Waidhas, Firas Faisal, Roman Fiala, Mykhailo Vorokhta, Ivan Khalakhan, Martin Dubau, Alberto Figueroba, Gabor Kovacs, Hristiyan A. Aleksandrov, Stabilization of Small Platinum Nanoparticles on Pt-CeO2 Thin Film Electrocatalysts During Methanol Oxidation, The Journal of Physical Chemistry C, том:120, брой:35, 2016, стр.19723-19736, Ref IF/IR, в сътрудничество с чуждестранни учени 2016
11 Konstantin Khivantsev, Artem Vityuk, Hristiyan A. Aleksandrov, Georgi N. Vayssilov, Oleg S. Alexeev, Michael D. Amiridis, Effect of Si/Al Ratio and Rh Precursor Used on the Synthesis of HY Zeolite-Supported Rhodium Carbonyl Hydride Complexes, The Journal of Physical Chemistry C, том:119, брой:30, 2015, стр.17166-17181, Ref IF/IR, в сътрудничество с чуждестранни учени 2015
12 Sergey M. Kozlov, Hristiyan A. Aleksandrov, Konstantin M. Neyman, Energetic Stability of Absorbed H in Pd and Pt Nanoparticles in a More Realistic Environment, The Journal of Physical Chemistry C, том:119, брой:9, 2015, стр.5180-5186, doi:DOI: 10.1021/jp513022m, Ref IF/IR, в сътрудничество с чуждестранни учени 2015
13 M. Y. Mihaylov, E. Z. Ivanova, H. A. Aleksandrov, P. St. Petkov, G. N. Vayssilov, K. I. Hadjiivanov, Formation of N3– during interaction of NO with reduced ceria, Chemical Communications , 2015, Ref IF/IR 2015
14 M. Y. Mihaylov, E. Z. Ivanova, H. A. Aleksandrov, P. St. Petkov, G. N. Vayssilov, K. I. Hadjiivanov, FTIR and density functional study of NO interaction with reduced ceria: Identification of N3− and NO2− as new intermediates in NO conversion, Applied Catalysis B Environmental , 2015, Ref IF/IR 2015
15 Kok-Hou Tan, Hussein Awala, Rino R. Mukti, Ka-Lun Wong, Baptiste Rigaud, Tau Chuan Ling, Hristiyan A. Aleksandrov, Iskra Z. Koleva, Iskra Z. Koleva, Georgi N. Vayssilov, Svetlana Mintova, Eng-Poh Ng, Inhibition of Palm Oil Oxidation by Zeolite Nanocrystals, Journal of Agricultural and Food Chemistry , том:63, 2015, стр.4655-4663, Ref IF/IR, в сътрудничество с чуждестранни учени , PhD 2015
16 Paul C. Jennings, Hristiyan A. Aleksandrov, Konstantin M. Neyman, Roy L. Johnston, O2 Dissociation on M@Pt Core–Shell Particles for 3d, 4d, and 5d Transition Metals, The Journal of Physical Chemistry C, том:119, брой:20, 2015, стр.11031-11041, doi:DOI: 10.1021/jp511598e, Ref IF/IR, в сътрудничество с чуждестранни учени 2015
17 Iskra Z. Koleva, Hristiyan A. Aleksandrov, Georgi N. Vayssilov, Renata Duarte, Jeroen A. van Bokhoven, Relative stability and reducibility of CeO2 and Rh/CeO2 species on the surface and in the cavities of γ-Al2O3: a periodic DFT study, Physical Chemistry Chemical Physics, том:17, 2015, стр.22389-22401, Ref IF/IR, в сътрудничество с чуждестранни учени , PhD 2015
18 H. A. Aleksandrov, K. M. Neyman, G. N. Vayssilov, Structure and stability of reduced and oxidized mononuclear platinum species on nanostructured ceria from density functional modeling, Physical Chemistry Chemical Physics , 2015, Ref IF/IR, в сътрудничество с чуждестранни учени 2015
19 Paul C. Jennings, Hristiyan A. Aleksandrov, Konstantin M. Neyman, Roy L. Johnston, A DFT study of oxygen dissociation on platinum based nanoparticles, Nanoscale, том:6, брой:2, 2014, стр.1153-1165, Ref IF/IR 2014
20 Sergey M. Kozlov, Hristiyan A. Aleksandrov, Konstantin M. Neyman, Adsorbed and Subsurface Absorbed Hydrogen Atoms on Bare and MgO(100)-Supported Pd and Pt Nanoparticles, The Journal of Physical Chemistry C, том:118, брой:28, 2014, стр.15242-15250, doi:DOI: 10.1021/jp502575a, Ref IF/IR, в сътрудничество с чуждестранни учени 2014
21 Paul C. Jennings, Hristiyan A. Aleksandrov, Konstantin M. Neyman, Roy L. Johnston, DFT studies of oxygen dissociation on the 116-atom platinum truncated octahedron particle, Physical Chemistry Chemical Physics, том:16, 2014, стр.26539-26545, doi:DOI: 10.1039/C4CP02147A, Ref IF/IR, в сътрудничество с чуждестранни учени 2014
22 A. Vityuk, H. A. Aleksandrov, G. N. Vayssilov, S. Ma, O. S. Alexeev, M. D. Amiridis, Effect of Si/Al ratio on the nature and reactivity of HY zeolite-supported rhodium dicarbonyl complexes, The Journal of Physical Chemistry C , 2014, Ref IF/IR, в сътрудничество с чуждестранни учени 2014
23 H. A. Aleksandrov, S. M. Kozlov, S. Schauermann, G. N. Vayssilov, K. M. Neyman, How Absorbed Hydrogen Affects the Catalytic Activity of Transition Metals, Angewandte Chemie International Edition , 2014, Ref IF/IR, в сътрудничество с чуждестранни учени 2014
24 M. Popova, A. Szegedi, K. Yoncheva, S. Konstantinov, G. P. Petrova, H. A. Aleksandrov, G. N. Vayssilov, P. Shestakova, New method for preparation of delivery systems of poorly soluble drugs on the basis of functionalized mesoporous MCM-41 nanoparticles, Microporous and Mesoporous Materials , 2014, Ref IF/IR, в сътрудничество с чуждестранни учени 2014
25 Sergey M. Kozlov, Hristiyan A. Aleksandrov, Jacek Goniakowski, Konstantin M. Neyman, Effect of MgO(100) support on structure and properties of Pd and Pt nanoparticles with 49-155 atoms, The Journal of Chemical Physics, том:139, 2013, стр.84701-0, Ref IF/IR 2013
26 Hristiyan A. Aleksandrov, Francesc Viñes, Wiebke Ludwig, Swetlana Schauermann, Konstantin M. Neyman, Tuning the Surface Chemistry of Pd by Atomic C and H: A Microscopic Picture, Chemistry A European Journal, том:19, 2013, стр.1335-1345, Ref IF/IR 2013
27 Hristiyan A. Aleksandrov, Elena A. Ivanova Shor, Alexei M. Shor, Vladimir A. Nasluzov, Georgi N. Vayssilov, Notker Rösch, Cationic zinc species in ZSM-5 zeolites: structure and stability from embedded cluster modeling, Soft Materials, том:10, 2012, стр.216-234, Ref IF/IR 2012
28 Hristiyan A. Aleksandrov, Petko St. Petkov, Georgi N. Vayssilov, Computational Modeling of Coordination Chemistry of Transition Metal Cations in Zeolites and in Metal-organic Frameworks, Current Physical Chemistry, том:2, 2012, стр.189-199, Ref IF/IR 2012
29 Hristiyan A. Aleksandrov, Lyudmila V. Moskaleva, Zhi-Jian Zhao, Duygu Basaran, Zhao-Xu Chen, Donghai Mei, Notker Rösch, Ethylene conversion to ethylidyne on Pd(111) and Pt(111). A first-principles-based kinetic Monte Carlo study, Journal of Catalysis, том:285, брой:1, 2012, стр.187-195, Ref IF/IR 2012
30 P. St. Petkov, H. A. Aleksandrov, V. Valtchev, G. N. Vayssilov, Framework stability of heteroatom substituted forms of large pore Ge-silicate molecular sieves: the case of ITQ-44, Chemistry of Materials, том:24, 2012, стр.2509-2518, Ref IF/IR 2012
31 Duygu Basaran, Hristiyan A. Aleksandrov, Zhao-Xu Chen, Zhi-Jian Zhao, Notker Rösch, Decomposition of ethylene on transition metal surfaces M(111). A comparative DFT study of model reactions for M = Pd, Pt, Rh, Ni, Journal of Molecular Catalysis A: Chemical, том:344, 2011, стр.37-46, Ref IF/IR 2011
32 Zhi-Jian Zhao, Lyudmila V. Moskaleva, Hristiyan A. Aleksandrov, Duygu Basaran, Notker Rösch, Ethylidyne Formation from Ethylene over Pt(111): A Mechanistic Study from First-Principle Calculations, The Journal of Physical Chemistry C, том:114, 2010, стр.12190-12201, Ref IF/IR 2010
33 Hristiyan A. Aleksandrov, Georgi N. Vayssilov, Theoretical investigation of ethane dehydrogenation on cationic Zn species in ZSM-5 zeolites—The second Al center in vicinity of the cation is essential for the accomplishment of the complete catalytic cycle, Catalysis Today, том:152, 2010, стр.78-87, Ref IF/IR 2010
34 Zhao-Xu Chen, Hristiyan A. Aleksandrov, Duygu Basaran, Notker Rösch, Transformations of Ethylene on the Pd(111) Surface: A Density Functional Study, The Journal of Physical Chemistry C, том:114, 2010, стр.17683-17692, Ref IF/IR 2010
35 Lyudmila V. Moskaleva, Zhao-Xu Chen, Hristiyan A. Aleksandrov, Amjad Basha Mohammed, Qiao Sun, Notker Rösch, Ethylene Conversion to Ethylidyne over Pd(111): Revisiting the Mechanism with First-Principles Calculations, The Journal of Physical Chemistry C, том:113, брой:6, 2009, стр.2512-2520, Ref IF/IR 2009
36 Lyudmila V. Moskaleva, Hristiyan A. Aleksandrov, Duygu Basaran, Zhi-Jian Zhao, Notker Rösch, Ethylidyne Formation from Ethylene over Pd(111): Alternative Routes from a Density Functional Study, The Journal of Physical Chemistry C, том:113, брой:34, 2009, стр.15373-15379, Ref IF/IR 2009
37 Sergey M. Kozlov, Ilya V. Yudanov, Hristiyan A. Aleksandrov, Notker Rösch, Theoretical study of carbon species on Pd(111): competition between migration of C atoms to the subsurface interlayer and formation of Cn clusters on the surface, Physical Chemistry Chemical Physics, том:11, 2009, стр.10955-10963, Ref IF/IR 2009
38 Еlena Ivanova, Mihail Mihaylov, Hristiyan A. Aleksandrov, Marco Daturi, Frederic Thibault-Starzyk, Georgi N. Vayssilov, Notker Rösch, Konstantin I. Hadjiivanov, Unusual Carbonyl-Nitrosyl Complexes of Rh2+ in Rh-ZSM-5: A Combined FTIR Spectroscopy and Computational Study, The Journal of Physical Chemistry C, том:111, 2007, стр.10412-10418, Ref IF/IR 2007
39 Hristiyan A. Aleksandrov, Georgi N. Vayssilov, Notker Rösch, Heterolytic dissociation and recombination of H2 over Zn,H-ZSM-5 zeolites - a density functional model study, Journal of Molecular Catalysis A: Chemical, том:256, 2006, стр.149-155, Ref IF/IR 2006
40 Hristiyan A. Aleksandrov, Georgi N. Vayssilov, Notker Rösch, Theoretical investigation of Zn-containing species in pores of ZSM-5 zeolites, Studies of Surface Science and Catalysis, том:158A, 2005, стр.593-600, Ref IF/IR 2005
41 Hristiyan A. Aleksandrov, Georgi N. Vayssilov, Notker Rösch, Theoretical investigation of the coordination of N2 ligands to the cluster Ni3, The Journal of Physical Chemistry A, том:108, 2004, стр.6127-6144, Ref IF/IR 2004