Zobrazeno 1 - 10
of 19
pro vyhledávání: '"Karol Jarolimek"'
Autor:
Chad Risko, Karol Jarolimek
Publikováno v:
ACS Applied Materials & Interfaces. 13:29034-29040
First-principles thermodynamics enables the description of the surface chemistry of inorganic materials as a function of temperature and partial pressures of atmospheric gases, providing a framework to connect atomistic simulations with macroscopic m
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::7eeaa5c67a9cf899809f7e4688d7796c
https://doi.org/10.1021/acsami.1c01394
https://doi.org/10.1021/acsami.1c01394
Autor:
Sean M. Ryno, Michael M. Haley, Qianxiang Ai, John E. Anthony, Chad Risko, Karol Jarolimek, Andrew M. Smith, Parker Sornberger, Vinayak Bhat
Publikováno v:
The Journal of chemical physics. 154(17)
Materials design and discovery are often hampered by the slow pace and materials and human costs associated with Edisonian trial-and-error screening approaches. Recent advances in computational power, theoretical methods, and data science techniques,
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d09c3f767d8136f20aef5c7868aebc26
https://pubmed.ncbi.nlm.nih.gov/34241085
https://pubmed.ncbi.nlm.nih.gov/34241085
Autor:
Devin B. Granger, Chad Risko, Nicholas Telesz, Jeni C. Sorli, Kaichen Gu, Qianxiang Ai, Sean Parkin, Karol Jarolimek, John E. Anthony, Yueh-Lin Loo
Publikováno v:
Chemistry of Materials. 31:6615-6623
Functionalization of organic semiconductors through the attachment of bulky side groups to the conjugated core has imparted solution processability to this class of otherwise insoluble materials. A consequence of this functionalization is that the bu
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::2252f9b1c71b4c534b43550478db3083
https://doi.org/10.1021/acs.chemmater.9b00546
https://doi.org/10.1021/acs.chemmater.9b00546
Publikováno v:
Chemistry of Materials. 30:947-957
Carbon nanoribbons offer the potential of semiconducting materials that maintain the large charge-carrier mobilities of graphene. Here, starting with polyacene as a reference, we present a theoretical investigation as to how polycyclic aromatic hydro
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::9f3788ea356c95c748c067ecd959d73d
https://doi.org/10.1021/acs.chemmater.7b04715
https://doi.org/10.1021/acs.chemmater.7b04715
Autor:
Qianxiang Ai, Chad Risko, Karol Jarolimek, Yulia A. Getmanenko, Raúl Castañeda, Tatiana V. Timofeeva
Publikováno v:
The Journal of Physical Chemistry Letters. 8:4510-4515
Mixed cocrystals derived from electron-rich donor (D) and electron-deficient acceptor (A) molecules showcase electronic, optical, and magnetic properties of interest for a wide range of applications. We explore the structural and electronic propertie
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4811d11cc179249dccd4731d0f829949
https://doi.org/10.1021/acs.jpclett.7b01816
https://doi.org/10.1021/acs.jpclett.7b01816
Publikováno v:
Chemistry of Materials. 29:2502-2512
The functionalization of oligoacenes and similar π-conjugated chromophores with trialkylsilylethynyl groups has proven to be a versatile means to enhance solubility and solution processability and engineer solid-state packing arrangements to produce
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::11c8e374fecb7c668ede693eb2f2355a
https://doi.org/10.1021/acs.chemmater.6b04211
https://doi.org/10.1021/acs.chemmater.6b04211
Autor:
Karol Jarolimek, Christian Schütt, Lev N. Zakharov, Oana D. Jurchescu, Andrew M. Zeidell, Rainer Herges, Michael M. Haley, Jonathan L. Marshall, Tristan W. Finn, Conerd K. Frederickson, Chad Risko, Katelyn P. Goetz, Kazuyuki Uchida
Publikováno v:
Chemical Science. 7:5547-5558
Indeno[1,2-b]fluorenes (IFs), while containing 4n π-electrons, are best described as two aromatic benzene rings fused to a weakly paratropic s-indacene core. In this study, we find that replacement of the outer benzene rings of an IF with benzothiop
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c2723aa0b4a4420e6c2b963b48d3ac0b
https://doi.org/10.1039/c6sc00950f
https://doi.org/10.1039/c6sc00950f
Autor:
Ying Shu, Gavin E. Collis, Sean M. Ryno, Chad Risko, Yonggang Zhen, Anthony J. Petty, Nicholas Telesz, Thomas Gessner, Yueh-Lin Loo, Nicholas C. Davy, Geoffrey E. Purdum, Karol Jarolimek, John E. Anthony, Chao Wu, R. Thomas Weitz, Antonio Facchetti, Wenping Hu
Publikováno v:
Journal of the American Chemical Society. 140(24)
Polymorphism is pervasive in molecular solids. While computational predictions of the molecular polymorphic landscape have improved significantly, identifying which polymorphs are preferentially accessed and experimentally stable remains a challenge.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::61c1b866e0f25a81bd9e011a0cc9074d
https://pubmed.ncbi.nlm.nih.gov/29793338
https://pubmed.ncbi.nlm.nih.gov/29793338
Autor:
Ling Xie, René A. C. M. M. van Swaaij, Jan Rusz, Klaus Leifer, Karol Jarolimek, Vancho Kocevski, Miro Zeman
Publikováno v:
Nanoscale
The optical and electrical properties of Si rich SiC (SRSC) solar cell absorber layers will strongly depend on interfacial layers between the Si and the SiC matrix and in this work, we analyze hitherto undiscovered interfacial layers. The SRSC thin f
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3756202b53a3942dd3041c50e8d593f5
http://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-326227
http://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-326227
Publikováno v:
Physical Review Applied, 8, 1-6
Physical Review Applied, 8, 1, pp. 1-6
Physical Review Applied, 8(1):014026. AMER PHYSICAL SOC
Physical Review Applied, 8, 1, pp. 1-6
Physical Review Applied, 8(1):014026. AMER PHYSICAL SOC
The band offsets between crystalline and hydrogenated amorphous silicon (a-Si:H) are key parameters governing the charge transport in modern silicon hetrojunction solar cells. They are an important input for macroscopic simulators that are used to fu
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::697314159d620828e7e380dd63651bec
http://hdl.handle.net/2066/178177
http://hdl.handle.net/2066/178177