Results 91 to 100 of about 422,052 (292)

First-Principles Based Matrix-Green's Function Approach to Molecular Electronic Devices: General Formalism

, 2001
Transport in molecular electronic devices is different from that in semiconductor mesoscopic devices in two important aspects: (1) the effect of the electronic structure and (2) the effect of the interface to the external contact. A rigorous treatment of
Albright, Andersen, Aulbur, Aviram, Baerends, Bormet, Brivio, Büttiker, Büttiker, Caroli, Chelikowsky, Chen, Collier, Danielewicz, Datta, Datta, Dederichs, Dekker, Di Ventra, Dorogi, Dreizler, Elstner, Emberley, Emberley, Feibelman, Feibelman, Ferrante, Ferry, Feynman, Frisch, Gimzewski, Goldhaber-Gordon, Goringe, Gross, Gunnarson, Hall, Haug, Hedin, Hershfield, Hirose, Hoffmann, Hoffmann, Joachim, Joachim, Joachim, Jones, Kadanoff, Keldysh, Kruger, Lake, Landauer, Lang, Lang, Lang, Lang, Lang, Lang, Langreth, Larade, Lundstrom, Lyo, Magoga, Mark A. Ratner, McWeeny, Meir, Meir, Metzger, Mujica, Mujica, Ness, Nitzan, Parr, Perdew, Petrov, Pople, Porath, Reed, Reed, Saito, Scheffler, Stowasser, Supriyo Datta, Tans, Taylor, Tian, Trioni, Wachutkal, Wan, Williams, Wilson, Xue, Xue, Xue, Yaliraki, Yongqiang Xue, Zeller   +95 more
core   +1 more source

Photoswitching Conduction in Framework Materials

Advanced Functional Materials, EarlyView.
This mini‐review summarizes recent advances in state‐of‐the‐art proton and electron conduction in framework materials that can be remotely and reversibly switched on and off by light. It discusses the various photoswitching conduction mechanisms and the strategies employed to enhance photoswitched conductivity.
Helmy Pacheco Hernandez, Stefan Hecht, Wolfgang Wenzel, Lars Heinke, Mariana Kozlowska   +4 more
wiley   +1 more source

Partial Density of States Ligand Field Theory (PDOS-LFT): Recovering a LFT-Like Picture and Application to Photoproperties of Ruthenium(II) Polypyridine Complexes

, 2017
Gas phase density-functional theory (DFT) and time-dependent DFT (TD-DFT) calculations are reported for a data base of 98 ruthenium(II) polypyridine complexes.
Amolo, George, Casida, Mark E., Kituyi, Lusweti, Magero, Denis, Makau, Nicholas   +4 more
core   +1 more source

MOFs and COFs in Electronics: Bridging the Gap between Intrinsic Properties and Measured Performance

Advanced Functional Materials, EarlyView.
Metal‐organic frameworks (MOFs) and covalent organic frameworks (COFs) hold promise for advanced electronics. However, discrepancies in reported electrical conductivities highlight the importance of measurement methodologies. This review explores intrinsic charge transport mechanisms and extrinsic factors influencing performance, and critically ...
Jonas F. Pöhls, R. Thomas Weitz
wiley   +1 more source

Direct Experimental Evidence for the Hybridization of Organic Molecular Orbitals with Substrate States at Interfaces: PTCDA on Silver

, 2010
We demonstrate the application of orbital k-space tomography for the analysis of the bonding occurring at metal-organic interfaces. Using angle-resolved photoelectron spectroscopy (ARPES), we probe the spatial structure of the highest occupied molecular ...
Forster, F., Puschnig, P., Reinert, F., Scholl, A., Ziroff, J.   +4 more
core   +1 more source

Region‐to‐Region Unidirectional Connection In Vitro Brain Model for Studying Directional Propagation of Neuropathologies

Advanced Functional Materials, EarlyView.
A unidirectional cerebral organoid–organoid neural circuit is established using a microfluidic platform, enabling controlled directional propagation of electrical signals, neuroinflammatory cues, and neurodegenerative disease–related proteins between spatially separated organoids.
Kyeong Seob Hwang, Hui‐Wen Liu, Hyogeun Shin, Hyun Wook Kang, Minjin Kang, Jongbaeg Kim, Il‐Joo Cho, Nakwon Choi, Seok Chung, Hong Nam Kim   +9 more
wiley   +1 more source

Quantum Chemical Study on the Corrosion Inhibition of Some Oxadiazoles

Advances in Materials Science and Engineering, 2015
Quantum chemical calculations based on DFT method were performed on three nitrogen-bearing heterocyclic compounds used as corrosion inhibitors for the mild steel in acid media to determine the relationship between the molecular structure of inhibitors ...
Hong Ju, Li Ding, Can Sun, Jie-jing Chen
doaj   +1 more source

Ultrahigh‐Yield, Multifunctional, and High‐Performance Organic Memory for Seamless In‐Sensor Computing Operation

Advanced Functional Materials, EarlyView.
Molecular engineering of a nonconjugated radical polymer enables a significant enhancement of the glass transition temperature. The amorphous nature and tunability of the polymer, arising from its nonconjugated backbone, facilitates the fabrication of organic memristive devices with an exceptionally high yield (>95%), as well as substantial ...
Daeun Kim, Jaehyoung Ko, Namju Kim, Quynh H. Nguyen, Hoyeon Lee, Joohwan Eo, Seongeon Jin, Ji Eon Kwon, Seung‐Yeol Jeon, Youngdo Jeong, Dongseok Kwon, Sung Gap Im, Sanghan Lee, Byung Chul Jang, Yongho Joo   +14 more
wiley   +1 more source

Using Balloons to Model Pi-Conjugated Systems and to Teach Frontier Molecular Orbital Theory [PDF]

, 2018
Daniel J. Swartling, Janet G. Coonce, Derek J. Cashman   +2 more
openalex   +1 more source

In Situ Study of Resistive Switching in a Nitride‐Based Memristive Device

Advanced Functional Materials, EarlyView.
In situ TEM biasing experiment demonstrates the volatile I‐V characteristic of MIM lamella device. In situ STEM‐EELS Ti L2/L3 ratio maps provide direct evidence of the oxygen vacancies migrations under positive/negative electrical bias, which is critical for revealing the RS mechanism for the MIM lamella device.
Di Zhang, Rohan Dhall, Matthew M. Schneider, Cun Li, Chengyu Song, Sundar Kunwar, Hongyi Dou, Natanii R. Yazzie, Henry Tran, Daniel Appuing, Jim Ciston, Nicholas G. Cucciniello, Pinku Roy, Michael T. Pettes, John Watt, Winson Kuo, Haiyan Wang, Ye Cao, Rodney J. McCabe, Aiping Chen   +19 more
wiley   +1 more source