„electron density“

Suchergebnisse

5.465 Treffer

• Cover Feature: Strong Structural and Electronic Binding of Bovine Serum Albumin to ZnO via Specific Amino Acid Residues and Zinc Atoms (ChemPhysChem 2/2022)
  Hematian, Hadi ; Ukraintsev, Egor ; Rezek, Bohuslav
• Localized Electron Density Redistribution in Fluorophosphate Cathode: Dangling Anion Regulation and Enhanced Na‐Ion Diffusivity for Sodium‐Ion Batteries (Adv. Funct. Mater. 4/2022)
  Wang, Jinjin ; Kang, Jinzhao ; Gu, Zhen‐Yi ; Liang, Qinghua ; Zhao, Xiangyuan ; Wang, Xiaomei ; Guo, Ruisheng ; Yu, Hong ; Du, Cheng‐Feng ; Wu, Xing-Long
• Inside Cover: The Fenna–Matthews–Olson Protein Revisited: A Fully Polarizable (TD) DFT/MM Description (ChemPhysChem 15/2014)
  Jurinovich, Sandro ; Curutchet, Carles ; Mennucci, Benedetta
• Cover Picture: Electron Transfer in a Supramolecular Associate of a Fullerene Fragment (Angew. Chem. Int. Ed. 8/2014)
  Gallego, María ; Calbo, Joaquín ; Aragó, Juan ; Krick Calderon, Rafael M. ; Liquido, Fernando H. ; Iwamoto, Takahiro ; Greene, Allison K. ; Jackson, Edward A. ; Pérez, Emilio M. ; Ortí, Enrique ; Guldi, Dirk M. ; Scott, Lawrence T. ; Martín, Nazario
• Inside Cover: Electronic Ground State of Carbon at Temperatures Approaching 0 K (Angew. Chem. Int. Ed. 14/2014)
  Grochala, Wojciech
• Cover Feature: Composing NLO Chromophore as a Puzzle: Electrochemistry‐based Approach to Design and Effectiveness (ChemPhysChem 22/2021)
  Dudkina, Yulia B. ; Kalinin, Alexey A. ; Fazleeva, Guzel M. ; Sharipova, Sirina M. ; Islamova, Liliya N. ; Dobrynin, Alexey B. ; Islamov, Daut R. ; Levitskaya, Alina I. ; Balakina, Marina Yu. ; Budnikova, Yulia H.
• Pathways of Developing High‐Energy‐Density Flexible Lithium Batteries (Adv. Mater. 46/2021)
  Chang, Jian ; Huang, Qiyao ; Gao, Yuan ; Zheng, Zijian
• Novel Ultrabright and Air‐Stable Photocathodes Discovered from Machine Learning and Density Functional Theory Driven Screening (Adv. Mater. 44/2021)
  Antoniuk, Evan R. ; Schindler, Peter ; Schroeder, W. Andreas ; Dunham, Bruce ; Pianetta, Piero ; Vecchione, Theodore ; Reed, Evan J.
• Back Cover: Characterization of Paramagnetic Reactive Intermediates: Predicting the NMR Spectra of Iron (IV)–Oxo Complexes by DFT (Chem. Eur. J. 37/2015)
  Borgogno, Andrea ; Rastrelli, Federico ; Bagno, Alessandro
• The Advantage of Nanowire Configuration in Band Structure Determination (Adv. Funct. Mater. 41/2021)
  Dimitrievska, Mirjana ; Hage, Fredrik S. ; Escobar Steinvall, Simon ; Litvinchuk, Alexander P. ; Stutz, Elias Z. ; Ramasse, Quentin ; Fontcuberta i Morral, Anna
• High Electron Mobility AlN on Sapphire (0001) with a Low Dislocation Density Prepared via Sputtering and High‐Temperature Annealing
  Sakurai, Yuya ; Ueno, Kohei ; Kobayashi, Atsushi ; Uesugi, Kenjiro ; Miyake, Hideto ; Fujioka, Hiroshi
• Photocatalysis: Tuning the Electronic Bandgap of Graphdiyne by H‐Substitution to Promote Interfacial Charge Carrier Separation for Enhanced Photocatalytic Hydrogen Production (Adv. Funct. Mater. 29/2021)
  Li, Jian ; Slassi, Amine ; Han, Xu ; Cornil, David ; Ha‐Thi, Minh‐Huong ; Pino, Thomas ; Debecker, Damien ; Colbeau‐Justin, Christophe ; Arbiol, Jordi ; Cornil, Jérôme ; Ghazzal, Mohamed Nawfal
• All‐Solid‐State Batteries: Nano‐Scale Complexions Facilitate Li Dendrite‐Free Operation in LATP Solid‐State Electrolyte (Adv. Energy Mater. 26/2021)
  Stegmaier, Sina ; Schierholz, Roland ; Povstugar, Ivan ; Barthel, Juri ; Rittmeyer, Simon P. ; Yu, Shicheng ; Wengert, Simon ; Rostami, Samare ; Kungl, Hans ; Reuter, Karsten Ulrich ; Eichel, Rüdiger‐A. ; Scheurer, Christoph
• Lithium/Sodium‐Ion Batteries: In Situ, Atomic‐Resolution Observation of Lithiation and Sodiation of WS 2 Nanoflakes: Implications for Lithium‐Ion and Sodium‐Ion Batteries (Small 24/2021)
  Xu, Yaobin ; Wang, Ke ; Yao, Zhenpeng ; Kang, Joohoon ; Lam, David ; Yang, Dan ; Ai, Wei ; Wolverton, Chris ; Hersam, Mark C. ; Huang, Ying ; Huang, Wei ; Dravid, Vinayak P. ; Wu, Jinsong
• Solid‐State Batteries: Constructing Electronic and Ionic Dual Conductive Polymeric Interface in the Cathode for High‐Energy‐Density Solid‐State Batteries (Adv. Funct. Mater. 13/2021)
  Li, Hao ; Lian, Fang ; Meng, Nan ; Xiong, Chenyu ; Wu, Nan ; Xu, Biyi ; Li, Yutao
• Lead Halide Perovskites: Uncovering the Electron‐Phonon Interplay and Dynamical Energy‐Dissipation Mechanisms of Hot Carriers in Hybrid Lead Halide Perovskites (Adv. Energy Mater. 9/2021)
  Chan, Christopher C. S. ; Fan, Kezhou ; Wang, Han ; Huang, Zhanfeng ; Novko, Dino ; Yan, Keyou ; Xu, Jianbin ; Choy, Wallace C. H. ; Lončarić, Ivor ; Wong, Kam Sing
• A Germapyramidane Switches Between 3D Cluster and 2D Cyclic Structures in Single‐Electron Steps
  Coburger, Peter ; Masero, Fabio ; Bösken, Jonas ; Mougel, Victor ; Grützmacher, Hansjörg
• Low-cost carbon nanotube aerogels with varying and controllable density
  Shen, Yang ; Du, Ai ; Wu, Xue-Ling ; Li, Xiao-Guang ; Shen, Jun ; Zhou, Bin
• Why Mg 2 IrH 6 Is Predicted to Be a High‐Temperature Superconductor, But Ca 2 IrH 6 Is Not
  Wang, Xiaoyu ; Pickett, Warren E. ; Hutcheon, Michael ; Prasankumar, Rohit P. ; Zurek, Eva D.
• Why Mg 2 IrH 6 Is Predicted to Be a High‐Temperature Superconductor, But Ca 2 IrH 6 Is Not
  Wang, Xiaoyu ; Pickett, Warren E. ; Hutcheon, Michael ; Prasankumar, Rohit P. ; Zurek, Eva D.