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Number of items: 25.
Chakraborty, Tanmoy, Monserrat, Bartomeu, Tฤnase, Alexandru, Walton, Richard I. and Karasulu, Bora (2024) Computational discovery of superior vanadium niobates based cathode materials for next-generation all-solid-State lithium-ion battery applications. Journal of Materials Chemistry A . doi:10.1039/D3TA08096J ISSN 2050-7488. (In Press)
Marchant, George A., Caro, Miguel A., Karasulu, Bora and Pรกrtay, Lรญvia B. (2023) Exploring the configuration space of elemental carbon with empirical and machine learned interatomic potentials. npj Computational Materials, 9 . 131. doi:10.1038/s41524-023-01081-w ISSN 2057-3960.
Karasulu, Bora, Roozeboom, Fred and Mameli, Alfredo (2023) Highโthroughput areaโselective spatial atomic layer deposition of SiO 2 with interleaved small molecule inhibitors and integrated backโetch correction for low defectivity. Advanced Materials . 2301204. doi:10.1002/adma.202301204 ISSN 0935-9648.
Szczuka, Conrad, Karasulu, Bora, Groh, Matthias F., Sayed, Farheen N., Sherman, Timothy J., Bocarsly, Joshua D., Vema, Sundeep, Menkin, Svetlana, Emge, Steffen P., Morris, Andrew J. and Grey, Clare P. (2022) Forced disorder in the solid solution Li3PโLi2S : a new class of fully reduced solid electrolytes for lithium metal anodes. Journal of the American Chemical Society, 144 (36). pp. 16350-16365. doi:10.1021/jacs.2c01913 ISSN 0002-7863.
Karasulu, Bora, Leyssale, Jean-Marc, Rowe, Patrick, Weber, Cedric and de Tomas, Carla (2022) Accelerating the prediction of large carbon clusters via structure search : evaluation of machine-learning and classical potentials. Carbon, 191 . pp. 255-266. doi:10.1016/j.carbon.2022.01.031 ISSN 00086223.
Karwal, Saurabh, Karasulu, Bora, Knoops, Harm C.M., Vandalon, Vincent, Kessels, Wilhelmus M.M. and Creatore, Mariadriana (2021) Atomic insights into the oxygen incorporation in atomic layer deposited conductive nitrides and its mitigation by energetic ions. Nanoscale, 13 (22). pp. 10092-10099. doi:10.1039/D0NR08921D ISSN 2040-3364.
Ha, Viet-Anh, Karasulu, Bora, Maezono, Ryo, Brunin, Guillaume, Varley, Joel Basile, Rignanese, Gian-Marco, Monserrat, Bartomeu and Hautier, Geoffroy (2020) Boron phosphide as a p -type transparent conductor : optical absorption and transport through electron-phonon coupling. Physical Review Materials, 4 (6). 065401. doi:10.1103/PhysRevMaterials.4.065401 ISSN 2475-9953.
Karasulu, Bora, Emge, Steffen P., Groh, Matthias F., Grey, Clare P. and Morris, Andrew J. (2020) Al/Ga-doped Li7La3Zr2O12 garnets as li-ion solid-state battery electrolytes : atomistic insights into local coordination environments and their influence on 17O, 27Al, and 71Ga NMR spectra. Journal of the American Chemical Society, 142 (6). pp. 3132-3148. doi:10.1021/jacs.9b12685 ISSN 0002-7863.
Mameli, Alfredo, Karasulu, Bora, Verheijen, Marcel A., Barcones, Beatriz, Macco, Bart, Mackus, Adriaan J. M., Kessels, Wilhelmus M. M. Erwin and Roozeboom, Fred (2019) Area-selective atomic layer deposition of ZnO by area activation using electron beam-induced deposition. Chemistry of Materials, 31 (4). pp. 1250-1257. doi:10.1021/acs.chemmater.8b03165 ISSN 0897-4756.
Vervuurt, Renรฉ H. J., Karasulu, Bora, Thissen, Nick F. W., Jiao, Yuqing, Weber, Jan-Willem, Kessels, Wilhelmus Erwin M. M. and Bol, Ageeth A. (2018) Pt-graphene contacts fabricated by plasma functionalization and atomic layer deposition. Advanced Materials Interfaces, 5 (13). 1800268. doi:10.1002/admi.201800268 ISSN 2196-7350.
Mameli, Alfredo, Merkx, Marc J. M., Karasulu, Bora, Roozeboom, Fred, Kessels, Wilhelmus (Erwin) M. M. and Mackus, Adriaan J. M. (2017) Area-selective atomic layer deposition of SiO2 using acetylacetone as a chemoselective inhibitor in an ABC-type cycle. ACS Nano, 11 (9). pp. 9303-9311. doi:10.1021/acsnano.7b04701 ISSN 1936-0851.
Kuang, Yinghuan, Macco, Bart, Karasulu, Bora, Ande, Chaitanya K., Bronsveld, Paula C.P., Verheijen, Marcel A., Wu, Yizhi, Kessels, Wilhelmus M.M. and Schropp, Ruud E.I. (2017) Towards the implementation of atomic layer deposited In2O3 : H in silicon heterojunction solar cells. Solar Energy Materials and Solar Cells, 163 . pp. 43-50. doi:10.1016/j.solmat.2017.01.011 ISSN 0927-0248.
Vervuurt, Renรฉ H. J., Karasulu, Bora, Verheijen, Marcel A., Kessels, Wilhelmus (Erwin) M. M. and Bol, Ageeth A. (2017) Uniform atomic layer deposition of Al2O3 on graphene by reversible hydrogen plasma functionalization. Chemistry of Materials, 29 (5). pp. 2090-2100. doi:10.1021/acs.chemmater.6b04368 ISSN 0897-4756.
Mameli, Alfredo, Kuang, Yinghuan, Aghaee, Morteza, Ande, Chaitanya K., Karasulu, Bora, Creatore, Mariadriana, Mackus, Adriaan J. M., Kessels, Wilhelmus M. M. and Roozeboom, Fred (2017) Area-selective atomic layer deposition of In2O3 : H using a ฮผ-plasma printer for local area activation. Chemistry of Materials, 29 (3). pp. 921-925. doi:10.1021/acs.chemmater.6b04469 ISSN 0897-4756.
Mameli, Alfredo, Karasulu, Bora, Verheijen, Marcel A., Mackus, Adriaan J.M., Kessels, W. M. M. and Roozeboom, Fred (2017) (Invited) area-selective atomic layer deposition : role of surface chemistry. ECS Transactions, 80 (3). pp. 39-48. doi:10.1149/08003.0039ecst ISSN 1938-5862.
Karasulu, Bora, Vervuurt, Renรฉ H. J., Kessels, Wilhelmus M. M. and Bol, Ageeth A. (2016) Continuous and ultrathin platinum films on graphene using atomic layer deposition : a combined computational and experimental study. Nanoscale, 8 (47). pp. 19829-19845. doi:10.1039/c6nr07483a ISSN 2040-3364.
Gรถtze, Jan P., Karasulu, Bora, Patil, Mahendra and Thiel, Walter (2015) Vibrational relaxation as the driving force for wavelength conversion in the peridininโchlorophyll a-protein. Biochimica et Biophysica Acta (BBA) - Bioenergetics, 1847 (12). pp. 1509-1517. doi:10.1016/j.bbabio.2015.07.011 ISSN 0005-2728.
Karasulu, Bora and Thiel, Walter (2015) Amine oxidation mediated by n-methyltryptophan oxidase : computational insights into the mechanism, role of active-site residues, and covalent flavin binding. ACS Catalysis, 5 (2). pp. 1227-1239. doi:10.1021/cs501694q ISSN 2155-5435.
Karasulu, Bora and Thiel, Walter (2015) Photoinduced intramolecular charge transfer in an electronically modified flavin derivative : roseoflavin. The Journal of Physical Chemistry B, 119 (3). pp. 928-943. doi:10.1021/jp506101x ISSN 1520-6106.
Karasulu, Bora, Gรถtze, Jan Philipp and Thiel, Walter (2014) Assessment of franckโcondon methods for computing vibrationally broadened UVโvis absorption spectra of flavin derivatives : riboflavin, roseoflavin, and 5-thioflavin. Journal of Chemical Theory and Computation, 10 (12). pp. 5549-5566. doi:10.1021/ct500830a ISSN 1549-9618.
Gรถtze, Jan P., Krรถner, Dominik, Banerjee, Shiladitya, Karasulu, Bora and Thiel, Walter (2014) Carotenoids as a shortcut for chlorophyll soret-to-q band energy flow. ChemPhysChem, 15 (15). pp. 3392-3401. doi:10.1002/cphc.201402233 ISSN 1439-4235.
Marian, Christel M., Nakagawa, Setsuko, Rai-Constapel, Vidisha, Karasulu, Bora and Thiel, Walter (2014) Photophysics of flavin derivatives absorbing in the blue-green region : thioflavins as potential cofactors of photoswitches. The Journal of Physical Chemistry B, 118 (7). pp. 1743-1753. doi:10.1021/jp4098233 ISSN 1520-6106.
Gรถtze, Jan P., Karasulu, Bora and Thiel, Walter (2013) Computing UV/vis spectra from the adiabatic and vertical franck-condon schemes with the use of cartesian and internal coordinates. The Journal of Chemical Physics, 139 (23). 234108. doi:10.1063/1.4844055 ISSN 0021-9606.
Karasulu, Bora, Patil, Mahendra and Thiel, Walter (2013) Amine oxidation mediated by lysine-specific demethylase 1 : quantum mechanics/molecular mechanics insights into mechanism and role of lysine 661. Journal of the American Chemical Society, 135 (36). pp. 13400-13413. doi:10.1021/ja403582u ISSN 0002-7863.
Karasulu, Bora, Keskin, Ozlem and Erman, Burak (2010) Reaction path analysis for demethylation process of histone tail lysine residues. In: 5th International Symposium on Health Informatics and Bioinformatics, Ankara, Turkey, 20-22 Apr 2010. Published in: 2010 5th International Symposium on Health Informatics and Bioinformatics pp. 197-205. ISBN 9781424459681. doi:10.1109/hibit.2010.5478882
This list was generated on Thu Mar 28 11:34:01 2024 GMT.