Article
Chemistry, Physical
Siva Dasetty, Igor Coropceanu, Joshua Portner, Jiyuan Li, Juan J. de Pablo, Dmitri Talapin, Andrew L. Ferguson
Summary: This study developed a computational model and used a computational method to describe the interactions of polarizable nanoparticles, and efficiently designed and predicted the thermodynamic stability regions of self-assembled aggregates through high-throughput virtual screening and enhanced sampling molecular dynamics calculations. The accuracy of the predictions was validated by comparing with experimental results, and further computational design of switchable nanostructured materials capable of triggered assembly and disassembly as a function of temperature and solvent dielectric was achieved using phase maps.
MOLECULAR SYSTEMS DESIGN & ENGINEERING
(2022)
Article
Optics
Clement Livache, Whi Dong Kim, Ho Jin, Oleg Kozlov, Igor Fedin, Victor Klimov
Summary: Researchers have demonstrated that up-conversion in manganese-doped CdSe colloidal quantum dots enables efficient electron photoemission, leading to high-yield production of solvated electrons. This discovery has significant applications in visible-light-driven reduction photochemistry.
Article
Multidisciplinary Sciences
Igor Coropceanu, Eric M. Janke, Joshua Portner, Danny Haubold, Trung Dac Nguyen, Avishek Das, Christian P. N. Tanner, James K. Utterback, Samuel W. Teitelbaum, Margaret H. Hudson, Nivedina A. Sarma, Alex M. Hinkle, Christopher J. Tassone, Alexander Eychmuller, David T. Limmer, Monica Olvera de la Cruz, Naomi S. Ginsberg, Dmitri Talapin
Summary: Colloidal nanocrystals can self-assemble into supercrystals with strong electronic coupling by using conductive inorganic ligands. The development of collective electronic states in ordered nanocrystal assemblies is hindered by insulating organic surface ligands.
Article
Chemistry, Multidisciplinary
Eric Schwenker, Venkata Surya Chaitanya Kolluru, Jinglong Guo, Rui Zhang, Xiaobing Hu, Qiucheng Li, Joshua T. Paul, Mark C. Hersam, Vinayak P. Dravid, Robert Klie, Jeffrey R. Guest, Maria K. Y. Chan
Summary: This paper introduces an open-source automation framework called ingrained, which solves the correspondence between simulation and experimental images and fuses atomic resolution image simulations into the corresponding experimental images.
Article
Chemistry, Physical
Dipti Jasrasaria, Daniel Weinberg, John P. Philbin, Eran Rabani
Summary: This article discusses the challenges in describing carrier dynamics in spatially confined semiconductor nanocrystals (NCs), which have enhanced electron-hole and exciton-phonon interactions. The current computational methods for molecules are limited to very small nanoclusters, and methods for bulk systems with periodic boundary conditions are not suitable for NCs due to the lack of translational symmetry. The authors present their recent efforts in developing a unified atomistic model based on the semiempirical pseudopotential approach, which is parameterized by first-principle calculations and validated against experimental measurements.
JOURNAL OF CHEMICAL PHYSICS
(2022)
Article
Multidisciplinary Sciences
Heeyoung Jung, Young-Shin Park, Namyoung Ahn, Jaehoon Lim, Igor Fedin, Clement Livache, Victor Klimov
Summary: This study addresses the challenges of fast optical-gain relaxation and poor stability in colloidal quantum dot (QD) solids, and achieves broad-band optical gain. By using continuously graded QDs and a current-focusing device design, combined with short-pulse pumping, ultra-high current densities and brightness are achieved, demonstrating an unusual two-band electroluminescence regime.
NATURE COMMUNICATIONS
(2022)
Article
Chemistry, Multidisciplinary
Jia-Ahn Pan, Haoqi Wu, Anthony Gomez, Justin C. Ondry, Joshua Portner, Wooje Cho, Alex Hinkle, Di Wang, Dmitri V. Talapin
Summary: In this study, a direct optical patterning method for all-inorganic nanocrystals (NCs) without the use of additional photosensitive ligands or additives is introduced. The photo-oxidation of surface ions on ligand-stripped, bare NCs significantly reduces their solubility in polar solvents, enabling the patterning of various materials. Transparent NCs can still be patterned by mixing them with suitably absorbing NCs.
Article
Chemistry, Multidisciplinary
K. C. Bilash, Jinglong Guo, Jack Farrell, Gene M. Nolis, D. Bruce Buchholz, Guennadi Evmenenko, Jordi Cabana, George W. Crabtree, Robert F. Klie
Summary: This study successfully synthesized LIB cathode model systems using thin-film molecular beam epitaxy (MBE), revealing the structural evolution of cathode surfaces and loss of active materials during cycling. This is important for the development of materials with higher capacity and stability for rechargeable batteries.
ADVANCED MATERIALS INTERFACES
(2022)
Article
Chemistry, Multidisciplinary
Wooje Cho, Zirui Zhou, Ruiming Lin, Justin C. Ondry, Dmitri Talapin
Summary: Group III nitrides are important materials for electronic devices and have been widely manufactured using high-temperature methods. Solution synthesis of III-nitride nanocrystals has been challenging, but this study shows that incorporating a molten salt phase can produce crystalline III-nitride nanomaterials. The use of molten salt and high-pressure reactants significantly expands the chemical scope of solution synthesis of inorganic nanomaterials.
Article
Chemistry, Multidisciplinary
Jose J. Sanchez J. Rodriguez, Andrea N. Nunez N. Leon, Jabeen Abbasi, Pravin S. Shinde, Igor Fedin, Arunava Gupta
Summary: This study explores a new nanomaterial, CuCrS2, as a potential absorber layer in solar cells, due to its tunable physical and chemical properties. CuCrS2 nanosheets with average dimensions of 43.6 +/- 6.7 nm in length and 25.6 +/- 4.1 nm in width were synthesized and fabricated into films using the spray-coating method. The resulting film exhibited a net current conversion efficiency of approximately 11.3%.
Article
Biochemistry & Molecular Biology
Olaitan E. E. Oladipupo, Meredith C. C. Prescott, Emily R. R. Blevins, Jessica L. L. Gray, Colin G. G. Cameron, Fengrui Qu, Nicholas A. A. Ward, Abigail L. L. Pierce, Elizabeth R. R. Collinson, James Fletcher Hall, Seungjo Park, Yonghyun Kim, Sherri A. A. McFarland, Igor Fedin, Elizabeth T. T. Papish
Summary: This study investigated protic ruthenium complexes using the dihydroxybipyridine (dhbp) ligand combined with a spectator ligand (N,N = bpy, phen, dop, Bphen) for their potential activity against cancer cells and their photophysical luminescent properties. The complexes were studied in two protonation states, giving a total of 16 isolated complexes. Among them, complex 7(A) has been recently synthesized and characterized, and the deprotonated forms of three complexes are reported for the first time. Three light-activated complexes demonstrated photocytotoxicity and the log(D-o/w) values of the complexes were used to correlate with improved cellular uptake.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2023)
Article
Multidisciplinary Sciences
Di Wang, Chenkun Zhou, Alexander S. Filatov, Wooje Cho, Francisco Lagunas, Mingzhan Wang, Suriyanarayanan Vaikuntanathan, Chong Liu, Robert F. Klie, Dmitri V. Talapin
Summary: Two-dimensional transition-metal carbides and nitrides (MXenes) are extensively studied materials with diverse applications in energy storage. We demonstrate a direct synthesis route for scalable and atom-economic production of MXenes, including previously unattainable compounds, by reactions of metals and metal halides with graphite, methane, or nitrogen. The directly synthesized MXenes exhibit excellent energy storage capacity for lithium-ion intercalation, and their growth can be controlled to form unique morphologies such as carpets and spherulites.
Article
Energy & Fuels
Adam Danielson, Carey Reich, Ramesh Pandey, Amit Munshi, Arthur Onno, Will Weigand, Darius Kuciauskas, Siming Li, Alexandra Bothwell, Jinglong Guo, Magesh Murugeson, John S. McCloy, Robert Klie, Zachary C. Holman, Walajabad Sampath
Summary: Contemporary device models suggest that a minimum acceptor concentration of 1016 cm(-3) is needed to achieve an open circuit voltage of 1 V in polycrystalline CdTe-based solar cells. However, using copper as the p-type dopant has proven challenging due to significant dopant compensation. This study explores the use of arsenic as an alternative p-type dopant and demonstrates that it can lead to high external radiative efficiencies and improved implied voltages in CdSeTe/CdTe solar cells.
SOLAR ENERGY MATERIALS AND SOLAR CELLS
(2023)
Article
Multidisciplinary Sciences
Shuo Wang, Qian Zhao, Abhijit Hazarika, Simiao Li, Yue Wu, Yaxin Zhai, Xihan Chen, Joseph M. Luther, Guoran Li
Summary: A detailed picture of temperature dependent behavior of Cs(x)FA(1-x)PbI(3) perovskite quantum dots is constructed by in situ optical spectroscopic and structural measurements. The thermal degradation mechanism depends on both the exact chemical composition and the ligand binding energy. Cs-rich quantum dots undergo a phase transition from black gamma-phase to yellow delta-phase, while FA-rich quantum dots directly decompose into PbI2. Quantum dot growth is observed at elevated temperatures. FA-rich quantum dots exhibit stronger electron-longitudinal optical phonon coupling, leading to a higher probability of exciton dissociation compared to Cs-rich quantum dots. Surface ligand-induced strain enables full-range A-site tuning.
NATURE COMMUNICATIONS
(2023)
Article
Engineering, Aerospace
Xin Dong, Yuzhe Gao, Jinglong Guo, Shiyu Zuo, Jinwu Xiang, Daochun Li, Zhan Tu
Summary: This paper proposes a UAV autonomous landing scheme based on multi-sensor fusion, which integrates Ultra Wide-Band (UWB) sensor, Inertial Measurement Unit (IMU), and vision feedback to guide the UAV to approach and land on a moving object. Simulation and real-world experiments validate the feasibility of the proposed scheme, showing successful landing with adequate accuracy in most common scenarios.