Increased resistance to photooxidation in Dion-Jacobson lead halide perovskites -- implication for perovskite device stability

Authors: Ren, Zhilin, Ovčar, Juraj, Leung, Tik Lun, He, Yanling, Li, Yin, Li, Dongyang, Qin, Xinshun, Mo, Hongbo, Yuan, Zhengtian, Bing, Jueming, Bucknall, Martin P., Grisanti, Luca, Ali, Muhammad Umair, Bai, Peng, Zhu, Tao, Syed, Ali Ashger, Lin, Jingyang, Wang, Jingbo, Abdul-Khaleed, Sun, Wenting, Li, Gangyue, Li, Gang, Ng, Alan Man Ching, Ho-Baillie, Anita W. Y., Lončarić, Ivor, Popović, Jasminka, Djurišić, Aleksandra B.

Subject Terms: Condensed Matter - Materials Science, Physics - Applied Physics

Access URL: http://arxiv.org/abs/2409.12556

SOFI: Finding point group symmetries in atomic clusters as finding the set of degenerate solutions in a shape-matching problem

Authors: Gunde, Miha, Salles, Nicolas, Grisanti, Luca, Martin-Samos, Layla, Hemeryck, Anne

Source: J. Chem. Phys. 161, 6 (2024), 062503

Subject Terms: Physics - Computational Physics, Physics - Chemical Physics

Access URL: http://arxiv.org/abs/2408.06131

Increased resistance to photooxidation in Dion-Jacobson lead halide perovskites: Implication for perovskite device stability

Authors: Ren, Zhilin ^{1, 9}, Ovčar, Juraj ^{2, 3, 9}, Leung, Tik Lun ^{1, 4, 5, 9}, He, Yanling ¹, Li, Yin ¹, Li, Dongyang ⁶, Qin, Xinshun ¹, Mo, Hongbo ¹, Yuan, Zhengtian ¹, Bing, Jueming ^{4, 5}, Bucknall, Martin P. ⁷, Grisanti, Luca ^{2, 3}, Ali, Muhammad Umair ¹, Bai, Peng ⁶, Zhu, Tao ⁶, Syed, Ali Ashger ¹, Lin, Jingyang ^{1, 8}, Wang, Jingbo ¹, Khaleed, Abdul ¹, Sun, Wenting ¹, Li, Gangyue ⁸, Li, Gang ⁶, Ng, Alan Man Ching ⁸, Ho-Baillie, Anita W.Y. ^{4, 5}, Lončarić, Ivor ^{2, ∗}, Popović, Jasminka ^{2, ∗∗}, Djurišić, Aleksandra B. ^{1, 10, ∗∗∗}

Source: In Matter 5 March 2025 8(3)

Crystal structure prediction of (quasi-)two-dimensional lead halide perovskites

Authors: Ovčar, Juraj, Grisanti, Luca, Mladineo, Bruno, Djurišić, Aleksandra B., Popović, Jasminka, Lončarić, Ivor

Subject Terms: Condensed Matter - Materials Science

Access URL: http://arxiv.org/abs/2204.09763

Base-pairing of uracil and 2,6-diaminopurine: from cocrystals to photoreactivity

Authors: Stolar, Tomislav ^{1, 2, 10, ∗}, Pearce, Ben K.D. ³, Etter, Martin ⁴, Truong, Khai-Nghi ⁵, Ostojić, Tea ¹, Krajnc, Andraž ⁶, Mali, Gregor ⁶, Rossi, Barbara ⁷, Molčanov, Krešimir ¹, Lončarić, Ivor ¹, Meštrović, Ernest ^{8, ∗∗}, Užarević, Krunoslav ^{1, ∗∗∗}, Grisanti, Luca ^{1, 9, ∗∗∗∗}

Source: In iScience 21 June 2024 27(6)

A marvel of chiral squaraine aggregates: chiroptical spectra beyond the exciton modelElectronic supplementary information (ESI) available. See DOI: https://doi.org/10.1039/d2tc05555d

Authors: Giavazzi, Davide, Schumacher, Marvin F., Grisanti, Luca, Anzola, Mattia, Di Maiolo, Francesco, Zablocki, Jennifer, Lützen, Arne, Schiek, Manuela, Painelli, Anna

Source: Journal of materials chemistry.C. 11(24):8307-8321

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCvdc_100185816911.0x000001&indx=1&recIds=ETOCvdc_100185816911.0x000001

Mixed Halide Ordering as a Tool for the Stabilization of Ruddlesden—Popper Structures

Authors: Ovčar, Juraj, Leung, Tik Lun, Grisanti, Luca, Skoko, Željko, Vrankić, Martina, Low, Kam-Hung, Wang, Shixun, You, Pei-Ying, Ahn, Hyeyoung, Lončarić, Ivor

Source: Chemistry of materials. 34(10):4286-4297

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCRN632544933&indx=1&recIds=ETOCRN632544933

Short hydrogen bonds enhance nonaromatic protein-related fluorescence

Authors: Stephens, Amberley D., Qaisrani, Muhammad Nawaz, Ruggiero, Michael T., Mirón, Gonzalo Díaz, Morzan, Uriel N., Lebrero, Mariano C. González, Jones, Saul T. E., Poli, Emiliano, Bond, Andrew D., Woodhams, Philippa J., Kleist, Elyse M., Grisanti, Luca, Gebauer, Ralph, Zeitler, J. Axel, Credgington, Dan, Hassanali, Ali, Schierle, Gabriele S. Kaminski

Source: Proceedings of the National Academy of Sciences of the United States of America, 2021 May . 118(21), 1-9.

Access URL: https://www.jstor.org/stable/27040601

Conversion of Ketones into Blue‐Emitting Electron‐Deficient Benzofurans

Authors: Górski, Krzysztof, Ostojić, Tea, Banasiewicz, Marzena, Ouellette, Erik T., Grisanti, Luca, Gryko, Daniel T.

Source: Chemistry. 29(21)

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCvdc_100181669945.0x000001&indx=1&recIds=ETOCvdc_100181669945.0x000001

Understanding Förster Energy Transfer through the Lens of Molecular Dynamics

Authors: Anzola, Mattia, Sissa, Cristina, Painelli, Anna, Hassanali, Ali A., Grisanti, Luca

Source: JOURNAL OF CHEMICAL THEORY AND COMPUTATION. 16(12):7281-7288

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCRN632730001&indx=1&recIds=ETOCRN632730001

Toward Understanding Optical Properties of Amyloids: A Reaction Path and Nonadiabatic Dynamics Study

Authors: Grisanti, Luca, Sapunar, Marin, Hassanali, Ali, Došlić, Nađa

Source: Journal of the American Chemical Society. 142(42):18042-18049

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCRN625170908&indx=1&recIds=ETOCRN625170908

Phase control for quasi-2D blue emitters by spacer cation engineeringElectronic supplementary information (ESI) available. See DOI: 10.1039/d0tc01631d

Authors: Tam, Ho Won, Leung, Tik Lun, Sun, Wenting, Liu, Fangzhou, Ma, Chao, Sing Wong, Kam, Lončarić, Ivor, Grisanti, Luca, Ovčar, Juraj, Skoko, Željko, Popović, Jasminka, Djurišić, Aleksandra B.

Source: Journal of materials chemistry.C. 8(32):11052-11060

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCvdc_100110363143.0x000001&indx=1&recIds=ETOCvdc_100110363143.0x000001

Neutral rhodol-based dyes expressing localization in mitochondria.

Authors: Ferraboschi, Ilaria, Ovčar, Juraj, Vygranenko, Kateryna V., Yu, Shupei, Minervino, Alfonso, Wrzosek, Antoni, Szewczyk, Adam, Rozza, Riccardo, Magistrato, Alessandra, Belfield, Kevin D., Gryko, Daniel T., Grisanti, Luca, Sissa, Cristina

Source: Organic & Biomolecular Chemistry; 8/7/2024, Vol. 22 Issue 29, p5886-5890, 5p

Understanding the quantum mechanical properties of hydrogen bonds in solvated biomolecules from cluster calculations

Authors: Jong, KwangHyok, Ansari, Narjes, Grisanti, Luca, Hassanali, Ali

Source: In Journal of Molecular Liquids 1 August 2018 263:501-509

Low energy optical excitations as an indicator of structural changes initiated at the termini of amyloid proteinsElectronic supplementary information (ESI) available. See DOI: 10.1039/c9cp04648h

Authors: Jong, Kwang Hyok, Azar, Yavar T., Grisanti, Luca, Stephens, Amberley D., Jones, Saul T. E., Credgington, Dan, Kaminski Schierle, Gabriele S., Hassanali, Ali

Source: Physical chemistry chemical physics. 21(43):23931-23942

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCvdc_100092004546.0x000001&indx=1&recIds=ETOCvdc_100092004546.0x000001

Structural and dynamical heterogeneities at glutamine–water interfacesElectronic supplementary information (ESI) available. See DOI: 10.1039/c9cp02259g

Authors: Qaisrani, Muhammad Nawaz, Grisanti, Luca, Gebauer, Ralph, Hassanali, Ali

Source: Physical chemistry chemical physics. 21(29):16083-16094

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCvdc_100085589596.0x000001&indx=1&recIds=ETOCvdc_100085589596.0x000001

Enhanced Light Emission Performance of Mixed Cation Perovskite Films—The Effect of Solution Stoichiometry on Crystallization

Authors: Liu, Fangzhou, Qin, Xinshun, Han, Bing, Chan, Christopher C. S., Ma, Chao, Leung, Tik Lun, Chen, Wei, He, Yanling, Lončarić, Ivor, Grisanti, Luca, Ovčar, Juraj, Skoko, Željko, Shi, Yingli, Ling, Francis Chi Chung, Huqe, Md Rashedul, Zapien, Juan Antonio, Wang, Shixun, Su, Chun‐Jen, Jeng, U‐Ser, Wong, Kam Sing, Ng, Alan Man Ching, Gu, Meng, Popović, Jasminka, Djurišić, Aleksandra B.

Source: Advanced optical materials. 9(21)

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCvdc_100134444592.0x000001&indx=1&recIds=ETOCvdc_100134444592.0x000001

Hydrogen Bond Networks and Hydrophobic Effects in the Amyloid β30—35 Chain in Water: A Molecular Dynamics Study

Authors: Jong, KwangHyok, Grisanti, Luca, Hassanali, Ali

Source: JOURNAL OF CHEMICAL INFORMATION AND MODELING. 57(7):1548-1562

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCRN632676130&indx=1&recIds=ETOCRN632676130

Crystal structure prediction of quasi-two-dimensional lead halide perovskites (14 pages)

Authors: Ovčar, Juraj, Grisanti, Luca, Mladineo, Bruno, Djurišić, Aleksandra B., Popović, Jasminka, Lončarić, Ivor

Source: Physical review.B.Condensed matter and materials physics. 107(17):174109-174109

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCRN633216719&indx=1&recIds=ETOCRN633216719

Mixed Spacer Cation Stabilization of Blue‐Emitting n = 2 Ruddlesden–Popper Organic–Inorganic Halide Perovskite Films

Authors: Leung, Tik Lun, Tam, Ho Won, Liu, Fangzhou, Lin, Jingyang, Ng, Alan Man Ching, Chan, Wai Kin, Chen, Wei, He, Zhubing, Lončarić, Ivor, Grisanti, Luca, Ma, Chao, Wong, Kam Sing, Lau, Ying Suet, Zhu, Furong, Skoko, Željko, Popović, Jasminka, Djurišić, Aleksandra B.

Source: Advanced optical materials. 8(4)

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCvdc_100102865895.0x000001&indx=1&recIds=ETOCvdc_100102865895.0x000001