Stephan Irle

Research.com Recognitions

• 2018 - Fellow of the American Association for the Advancement of Science (AAAS)

Overview

Best Publications

• Recent developments in the general atomic and molecular electronic structure system.

  Giuseppe M.J. Barca;Colleen Bertoni;Laura Carrington;Dipayan Datta

  1355
  Citations

• DFTB+, a software package for efficient approximate density functional theory based atomistic simulations

  B. Hourahine;B. Aradi;V. Blum;F. Bonafé

  1077
  Citations

• Conjugated organic framework with three-dimensionally ordered stable structure and delocalized π clouds

  Jia Guo;Yanhong Xu;Shangbin Jin;Long Chen;Long Chen

  703
  Citations

• In Operando X-ray Absorption Fine Structure Studies of Polyoxometalate Molecular Cluster Batteries: Polyoxometalates as Electron Sponges

  Heng Wang;Shun Hamanaka;Yoshio Nishimoto;Stephan Irle

  485
  Citations

• Locking Covalent Organic Frameworks with Hydrogen Bonds: General and Remarkable Effects on Crystalline Structure, Physical Properties, and Photochemical Activity

  Xiong Chen;Matthew Addicoat;Enquan Jin;Lipeng Zhai

  440
  Citations

• High‐Rate Charge‐Carrier Transport in Porphyrin Covalent Organic Frameworks: Switching from Hole to Electron to Ambipolar Conduction

  Xiao Feng;Lili Liu;Yoshihito Honsho;Akinori Saeki

  419
  Citations

• An n-Channel Two-Dimensional Covalent Organic Framework

  Xuesong Ding;Long Chen;Yoshihito Honsho;Xiao Feng

  407
  Citations

• Catalytic covalent organic frameworks via pore surface engineering

  Hong Xu;Xiong Chen;Jia Gao;Jianbin Lin

  362
  Citations

• Rational design of crystalline supermicroporous covalent organic frameworks with triangular topologies

  Sasanka Dalapati;Matthew Addicoat;Shangbin Jin;Tsuneaki Sakurai

  358
  Citations

• Control of Crystallinity and Porosity of Covalent Organic Frameworks by Managing Interlayer Interactions Based on Self-Complementary π-Electronic Force

  Xiong Chen;Matthew Addicoat;Stephan Irle;Atsushi Nagai

  350
  Citations

• Charge Dynamics in A Donor–Acceptor Covalent Organic Framework with Periodically Ordered Bicontinuous Heterojunctions

  Shangbin Jin;Xuesong Ding;Xiao Feng;Mustafa Supur

  336
  Citations

• Creation of Superheterojunction Polymers via Direct Polycondensation: Segregated and Bicontinuous Donor-Acceptor π-Columnar Arrays in Covalent Organic Frameworks for Long-Lived Charge Separation.

  Shangbin Jin;Mustafa Supur;Matthew Addicoat;Ko Furukawa

  319
  Citations

• An ambipolar conducting covalent organic framework with self-sorted and periodic electron donor-acceptor ordering.

  Xiao Feng;Long Chen;Yoshihito Honsho;Oraphan Saengsawang;Oraphan Saengsawang

  306
  Citations

• The C60 Formation Puzzle “Solved”: QM/MD Simulations Reveal the Shrinking Hot Giant Road of the Dynamic Fullerene Self-Assembly Mechanism

  Stephan Irle;Guishan Zheng;Zhi Wang;Keiji Morokuma

  306
  Citations

• Combined experimental and theoretical studies on the photophysical properties of cycloparaphenylenes

  Yasutomo Segawa;Aiko Fukazawa;Sanae Matsuura;Haruka Omachi

  304
  Citations

• Parameter Calibration of Transition-Metal Elements for the Spin-Polarized Self-Consistent-Charge Density-Functional Tight-Binding (DFTB) Method: Sc, Ti, Fe, Co, and Ni.

  Guishan Zheng;Guishan Zheng;Henryk A. Witek;Petia Bobadova-Parvanova;Stephan Irle;Stephan Irle

  268
  Citations

• Light-Emitting Covalent Organic Frameworks: Fluorescence Improving via Pinpoint Surgery and Selective Switch-On Sensing of Anions.

  Zhongping Li;Ning Huang;Ka Hung Lee;Yu Feng

  233
  Citations

• Detector for optically detecting at least one object

  Ingmar Bruder;Felix Eickemeyer;Peter Erk;Rüdiger Sens

  232
  Citations

• A π-conjugated system with flexibility and rigidity that shows environment-dependent RGB luminescence.

  Chunxue Yuan;Shohei Saito;Cristopher Camacho;Stephan Irle

  229
  Citations

• Sensitivity of ammonia interaction with single-walled carbon nanotube bundles to the presence of defect sites and functionalities.

  Xue Feng;Xue Feng;Stephen Irle;Henryk A. Witek;Keiji Morokuma

  224
  Citations