Results 141 to 150 of about 408,933 (280)

Reducing Interface Energy Loss of Perovskite Solar Cells by Molecular Engineering of Hole‐Transporting Materials

Angewandte Chemie, EarlyView.
This study reports a new hole‐transporting material (WD03) designed via molecular engineering to regulate defect passivation and energy‐level alignment in perovskite solar cells (PSCs). The propeller‐shaped structure ensures balanced charge transport and film quality. Consequently, WD03‐based devices deliver a high open‐circuit voltage of 1.194 V under
Guang Shao, Shang‐Gen Yang, Jian Chen, Dian Wang, Jun‐Jie Zhang, Zu‐Kun Zhou, Jing Xiao, Long Jiang, Zhi‐Zheng Wu, Hiroyuki Kanda, Hua Yang, Zeliang Qiu, Ruiyuan Hu, Xingao Li, Ammar Ahmed Khan, Yi Zhang, Jianxing Xia, Mohammad Khaja Nazeeruddin   +17 more
wiley   +2 more sources

Speciation, Structural Refinement, and Distribution of Ti Sites in Titanium Silicalite‐1 From 47/49Ti NMR Crystallography at 28.2 Tesla

Angewandte Chemie, EarlyView.
Titanium silicalite‐1 (TS‐1), used in industrial selective oxidation processes, depends on specific, yet still unresolved Ti sites, dispersed within the framework of an MFI‐zeolite. Applying high field (28.2 T) 47/49Ti NMR and 17O NMR spectroscopy for an array of TS‐1 catalysts enables the development of an NMR crystallography protocol and the ...
Christoph J. Kaul, Jonas Koppe, Lukas Lätsch, Michael Wörle, Sadig Aghazada, Jacob B. Holmes, Christina Wartmann, Mingji Zheng, Albrecht Berkessel, Trees De Baerdemaeker, Andrei‐Nicolae Parvulescu, Karsten Seidel, J. Henrique Teles, Alexander V. Yakimov, Christophe Copéret   +14 more
wiley   +2 more sources

One‐Dimensional Polycyclic Aromatic Hydrocarbons Incorporating Multiple Dithiafulvene Units—Novel Multi‐Redox and Electrochromic Systems

Angewandte Chemie, EarlyView.
Planar polycyclic aromatic hydrocarbons (PAHs) incorporating three or four dithiafulvene (DTF) units were synthesized via Horner–Wadsworth–Emmons reactions to create large π‐conjugated redox‐active frameworks. These molecules display strong intermolecular associations and distinct odd–even redox behavior, enabling formation of mixed‐valence and radical‐
Cecilie Rindom, Florim Seljmani, Lukas Bradley Woodcock, Mogens Brøndsted Nielsen   +3 more
wiley   +2 more sources

Rapid Assignment of Chemical Shifts From Crystal Structures in Solid‐State NMR

Angewandte Chemie, EarlyView.
Chemical shift assignment in solids is a long and tedious process that relies on complex 1D and 2D NMR experiments. With prior knowledge of the 3D structure, this process can be significantly sped up by a Bayesian probabilistic assignment approach based on predicted chemical shifts.
Ruben Rodriguez‐Madrid, Jacob Brian Holmes, Lyndon Emsley   +2 more
wiley   +2 more sources

Crystals as Rockets: Modulation of the Salient Temperature in Cocrystals by Solvent Mixture Composition

Angewandte Chemie, EarlyView.
Compositionally engineered mixed solvated cocrystals enable modulation of thermosalient actuation. Guest ratio controls thermosalient temperature and propulsion intensity, providing a tunable platform for designing crystalline systems that exhibit stimuli‐responsive mechanical motion.
Ernesto A. Hernández‐Morales, Dayra Barreto‐Hernández, Dazaet Galicia‐Badillo, Rubén A. Toscano, M. Elena García‐Aguilera, Braulio Rodríguez‐Molina   +5 more
wiley   +2 more sources

Bridged Pyrroloindole‐CAYC‐Gold Complexes: Harnessing Weak Secondary Intramolecular Au···H−C(sp3) Interactions in Gold(I) Catalysis

Angewandte Chemie, EarlyView.
We present a new class of electronically and sterically hindered N‐heterocyclic carbenes, referred to as bridged cyclic (amino)ylide carbene (bCAYC), where 9H‐pyrrolo[1,2‐a]indole acted as carbene core and diaryl sulfonium as ylide partner. Corresponding bCAYC‐Au(I) exhibits a weak secondary intramolecular Au···H−C(sp3) interaction as a secondary ...
Sourav Sekhar Bera, Anurag Kumar, Pengcheng Gao, Sanghamitra Das, Roger Lalancette, Roman Szostak, Michal Szostak   +6 more
wiley   +2 more sources

Acta Crystallographica Section B welcomes three new Co-editors. [PDF]

Acta Crystallogr B Struct Sci Cryst Eng Mater
Dawe L, Katrusiak A, Nangia A, Berry A.
europepmc   +1 more source

Crystallography matters [PDF]

Nature Materials, 2014
openaire   +2 more sources

Structural Insights Into CO2 Transport Pathways in a W‐Formate Dehydrogenase: Structural Basis for CO2 Reduction

Angewandte Chemie, EarlyView.
Integrated structural analysis of N. vulgaris formate dehydrogenase AB, an enzyme with applications in climate change mitigation, is reported. The substrate/product diffusion pathways were fully mapped, and a retention site was identified that transiently holds substrates and has a key role in CO2‐reducing activity.
Guilherme Vilela‐Alves, Rita Rebelo Manuel, Guilherme Martins, Philippe Carpentier, Agata Raczyńska, Maciej Szaleniec, Inês A. Cardoso Pereira, Maria João Romão, Cristiano Mota   +8 more
wiley   +2 more sources

3D ED: Accessible, robust and accurate. [PDF]

IUCrJ
Kodjikian S.
europepmc   +1 more source