@article{QinZhaoSchmalleggeretal.2019,
  author    = {Qin, Qing and Zhao, Yun and Schmallegger, Max and Heil, Tobias and Schmidt, Johannes and Walczak, Ralf and Gescheidt-Demner, Georg and Jiao, Haijun and Oschatz, Martin},
  title     = {Enhanced Electrocatalytic N-2 Reduction via Partial Anion Substitution in Titanium Oxide-Carbon Composites},
  series = {Angewandte Chemie : a journal of the Gesellschaft Deutscher Chemiker ; International edition},
  volume    = {58},
  journal   = {Angewandte Chemie : a journal of the Gesellschaft Deutscher Chemiker ; International edition},
  number    = {37},
  publisher = {Wiley-VCH},
  address   = {Weinheim},
  issn      = {1433-7851},
  doi       = {10.1002/anie.201906056},
  pages     = {13101 -- 13106},
  year      = {2019},
  abstract  = {The electrochemical conversion of N-2 at ambient conditions using renewably generated electricity is an attractive approach for sustainable ammonia (NH3) production. Considering the chemical inertness of N-2, rational design of efficient and stable catalysts is required. Therefore, in this work, it is demonstrated that a C-doped TiO2/C (C-TixOy/C) material derived from the metal-organic framework (MOF) MIL-125(Ti) can achieve a high Faradaic efficiency (FE) of 17.8 \%, which even surpasses most of the established noble metal-based catalysts. On the basis of the experimental results and theoretical calculations, the remarkable properties of the catalysts can be attributed to the doping of carbon atoms into oxygen vacancies (OVs) and the formation of Ti-C bonds in C-TixOy. This binding motive is found to be energetically more favorable for N-2 activation compared to the non-substituted OVs in TiO2. This work elucidates that electrochemical N-2 reduction reaction (NRR) performance can be largely improved by creating catalytically active centers through rational substitution of anions into metal oxides.},
  language  = {en}
}
@article{QinHeilSchmidtetal.2019,
  author    = {Qin, Qing and Heil, T. and Schmidt, J. and Schmallegger, Max and Gescheidt, Georg and Antonietti, Markus and Oschatz, Martin},
  title     = {Electrochemical Fixation of Nitrogen and Its Coupling with Biomass Valorization with a Strongly Adsorbing and Defect Optimized Boron-Carbon-Nitrogen Catalyst},
  series = {ACS Applied Energy Materials},
  volume    = {2},
  journal   = {ACS Applied Energy Materials},
  number    = {11},
  publisher = {American Chemical Society},
  address   = {Washington},
  issn      = {2574-0962},
  doi       = {10.1021/acsaem.9b01852},
  pages     = {8359 -- 8365},
  year      = {2019},
  abstract  = {The electrochemical conversion of low-cost precursors into high-value chemicals using renewably generated electricity is a promising approach to build up an environmentally friendly energy cycle, including a storage element. The large-scale implementation of such process can, however, only be realized by the design of cost-effective electrocatalysts with high efficiency and highest stability. Here, we report the synthesis of N and B codoped porous carbons. The constructed B-N motives combine abundant unpaired electrons and frustrated Lewis pairs (FLPs). They result in desirable performance for electrochemical N-2 reduction reaction (NRR) and electrooxidation of 5-hydroxymethylfurfural (HMF) in the absence of any metal cocatalyst. A maximum Faradaic efficiency of 15.2\% with a stable NH3 production rate of 21.3 mu g h(-1) mg(-1) is obtained in NRR. Besides, 2,5-furandicarboxylic acid (FDCA) is first obtained by using non-metalbased electrocatalysts at a conversion of 71\% and with yield of 57\%. Gas adsorption experiments elucidate the relationship between the structure and the ability of the catalysts to activate the substrate molecules. This work opens up deep insights for the rational design of non-metal-based catalysts for potential electrocatalytic applications and the possible enhancement of their activity by the introduction of FLPs and point defects at grain boundaries.},
  language  = {en}
}