TY - JOUR A1 - Wiggering, Hubert A1 - Dalchow, Claus A1 - Glemnitz, Michael A1 - Helming, Katharina A1 - Müller, Klaus A1 - Schultz, Alfred A1 - Stachow, Ulrich A1 - Zander, Peter T1 - Indicators for multifunctional land use : linking socio-economic requirements with landscape potentials N2 - Indicators to assess sustainable land development often focus on either economic or ecologic aspects of landscape use. The concept of multifunctional land use helps merging those two focuses by emphasising on the rule that economic action is per se accompanied by ecological utility: commodity outputs (CO, e.g., yields) are paid for on the market, but non-commodity outputs (NCO, e.g., landscape aesthetics) so far are public goods with no markets. Agricultural production schemes often provided both outputs by joint production, but with technical progress under prevailing economic pressure, joint production increasingly vanishes by decoupling of commodity from non-commodity production. Simultaneously, by public and political awareness of these shortcomings, there appears a societal need or even demand for some non-commodity outputs of land use, which induces a market potential, and thus, shift towards the status of a commodity outputs. An approach is presented to merge both types of output by defining an indicator of social utility (SUMLU): production schemes are considered with respect to social utility of both commodity and non-commodity outputs. Social utility in this sense includes environmental and economic services as long as society expresses a demand for them. For each combination of parameters at specific frame conditions (e.g., soil and climate properties of a landscape) a production possibility curve can reflect trade-offs between commodity and non-commodity outputs. On each production possibility curve a welfare optimum can be identified expressing the highest achievable value of social utility as a trade-off between CO and NCO production. When applying more parameters, a cluster of welfare optimums is generated. Those clusters can be used for assessing production schemes with respect to sustainable land development. Examples of production possibility functions are given on easy applicable parameters (nitrogen leaching versus gross margin) and on more complex ones (biotic integrity). Social utility, thus allows to evaluate sustainability of land development in a cross-sectoral approach with respect to multifunctionality. (C) 2005 Elsevier Ltd. All rights reserved Y1 - 2006 UR - 1960 = DOI 10.1016/j.ecolind.2005.08.014 ER - TY - JOUR A1 - Riese, Josef A1 - Kulgemeyer, Christoph A1 - Zander, Simon A1 - Borowski, Andreas A1 - Fischer, Hans E. A1 - Gramzow, Yvonne A1 - Reinhold, Peter A1 - Schecker, Horst A1 - Tomczyszyn, Elisabeth T1 - Modeling and Measurement of Professional Knowledge in Physics Teacher Training JF - Zeitschrift für Pädagogik N2 - For improving teacher education, there has been an increasing interest in describing teachers' professional competencies and their development in the course of implementing educational programs. The focus of the present project is on modeling and measuring domain-specific and generic competencies that future physics teachers acquire during their university studies. The model comprises characteristics and relationships between physics content knowledge, pedagogical content knowledge, and skills for explaining physics phenomena. Based on the model, assessment instruments were developed and applied as paper-and-pencil-tests and videotaped expert-novice dialogues for measuring the competencies in a large sample of physics student teachers. Trials and validation suggest that our instruments are valid in terms of content and construct validities. KW - Professional Knowledge KW - Student Teachers KW - Physics KW - Competencies KW - Validity Y1 - 2015 SN - 0044-3247 SP - 55 EP - 79 PB - Beltz CY - Weinheim ER - TY - JOUR A1 - Penschke, Christopher A1 - Edler von Zander, Robert A1 - Beqiraj, Alkit A1 - Zehle, Anna A1 - Jahn, Nicolas A1 - Neumann, Rainer A1 - Saalfrank, Peter T1 - Water on porous, nitrogen-containing layered carbon materials BT - the performance of computational model chemistries JF - Physical chemistry, chemical physics : PCCP ; a journal of European chemical societies / RSC, Royal Society of Chemistry N2 - Porous, layered materials containing sp(2)-hybridized carbon and nitrogen atoms, offer through their tunable properties, a versatile route towards tailormade catalysts for electrochemistry and photochemistry. A key molecule interacting with these quasi two-dimensional materials (2DM) is water, and a photo(electro)chemical key reaction catalyzed by them, is water splitting into H-2 and O-2, with the hydrogen evolution reaction (HER) and the oxygen evolution reaction (OER) as half reactions. The complexity of some C/N-based 2DM in contact with water raises special needs for their theoretical modelling, which in turn is needed for rational design of C/N-based catalysts. In this work, three classes of C/N-containing porous 2DM with varying pore sizes and C/N ratios, namely graphitic carbon nitride (g-C3N4), C2N, and poly(heptazine imides) (PHI), are studied with various computational methods. We elucidate the performance of different models and model chemistries (the combination of electronic structure method and basis set) for water and water fragment adsorption in the low-coverage regime. Further, properties related to the photo(electro)chemical activity like electrochemical overpotentials, band gaps, and optical excitation energies are in our focus. Specifically, periodic models will be tested vs. cluster models, and density functional theory (DFT) vs. wavefunction theory (WFT). This work serves as a basis for a systematic study of trends for the photo(electro)chemical activity of C/N-containing layered materials as a function of water content, pore size and density. Y1 - 2022 U6 - https://doi.org/10.1039/d2cp00657j SN - 1463-9076 SN - 1463-9084 VL - 24 IS - 24 SP - 14709 EP - 14726 PB - Royal Society of Chemistry CY - Cambridge ER - TY - JOUR A1 - Kogikoski Junior, Sergio A1 - Tapio, Kosti A1 - Edler von Zander, Robert A1 - Saalfrank, Peter A1 - Bald, Ilko T1 - Raman enhancement of nanoparticle dimers self-assembled using DNA origami nanotriangles JF - Molecules : a journal of synthetic chemistry and natural product chemistry / Molecular Diversity Preservation International N2 - Surface-enhanced Raman scattering is a powerful approach to detect molecules at very low concentrations, even up to the single-molecule level. One important aspect of the materials used in such a technique is how much the signal is intensified, quantified by the enhancement factor (EF). Herein we obtained the EFs for gold nanoparticle dimers of 60 and 80 nm diameter, respectively, self-assembled using DNA origami nanotriangles. Cy5 and TAMRA were used as surface-enhanced Raman scattering (SERS) probes, which enable the observation of individual nanoparticles and dimers. EF distributions are determined at four distinct wavelengths based on the measurements of around 1000 individual dimer structures. The obtained results show that the EFs for the dimeric assemblies follow a log-normal distribution and are in the range of 10(6) at 633 nm and that the contribution of the molecular resonance effect to the EF is around 2, also showing that the plasmonic resonance is the main source of the observed signal. To support our studies, FDTD simulations of the nanoparticle's electromagnetic field enhancement has been carried out, as well as calculations of the resonance Raman spectra of the dyes using DFT. We observe a very close agreement between the experimental EF distribution and the simulated values. KW - surface-enhanced Raman scattering KW - DNA origami KW - resonance Raman KW - scattering KW - nanoparticle dimers Y1 - 2021 U6 - https://doi.org/10.3390/molecules26061684 SN - 1420-3049 VL - 26 IS - 6 PB - MDPI CY - Basel ER - TY - JOUR A1 - von Zander, Robert Edler A1 - Saalfrank, Peter T1 - On the borate-catalyzed electrochemical reduction of phosphine oxide BT - a computational study JF - The journal of physical chemistry : A, Molecules, spectroscopy, kinetics, environment & general theory N2 - Recently, Nocera and co-workers (J. Am. Chem. Soc. 2018, 140, 13711) demonstrated that triaryl borate Lewis acids facilitate the direct electrochemical reduction of triphenylphosphine oxide (TPPO) to triphenylphosphine (TPP). In the present contribution, we report a quantum chemical study unravelling details of the reaction, which also supports the proposed ECrECi mechanism. Alternative electrochemical routes to TPPO reduction facilitated by other Lewis acids (CH3+), or by photocatalysis at semiconductor surfaces, are also briefly discussed. Y1 - 2020 U6 - https://doi.org/10.1021/acs.jpca.0c07805 SN - 1089-5639 SN - 1520-5215 VL - 124 IS - 49 SP - 10239 EP - 10245 PB - American Chemical Society CY - Washington ER -