The development of sustainable and efficient energy conversion processes at interfaces is at the center of the rapidly growing field of basic energy science. How successful this challenge can be addressed will ultimately depend on the acquired degree of molecular-level understanding. In this respect, the severe knowledge gap in electro- or photocatalytic conversions compared to corresponding thermal processes in heterogeneous catalysis is staggering. This discrepancy is most blatant in the present status of predictive-quality, viz. first-principles based modelling in the two fields, which largely owes to multifactorial methodological issues connected with the treatment of the electrochemical environment and the description of the surface redox chemistry driven by the photo-excited charges or external potentials.Successfully tackling these complexities will advance modelling methodology in (photo)electrocatalysis to a similar level as already established in heterogeneous catalysis, with an impact that likely even supersedes the one seen there in the last decade. A corresponding method development is the core objective of the present proposal, with particular emphasis on numerically efficient approaches that will ultimately allow to reach comprehensive microkinetic formulations. Synergistically combining the methodological expertise of the two participating groups we specifically aim to implement and advance implicit and mixed implicit/explicit solvation models, as well as QM/MM approaches to describe energy-related processes at solid-liquid interfaces. With the clear objective to develop general-purpose methodology we will illustrate their use with applications to hydrogen generation through water splitting. Disentangling the electro- resp. photocatalytic effect with respect to the corresponding dark reaction, this concerns both the hydrogen evolution reaction at metal electrodes like Pt and direct water splitting at oxide photocatalysts like TiO2. Through this we expect to arrive at a detailed mechanistic understanding that will culminate in the formulation of comprehensive microkinetic models of the light- or potential-driven redox process. Evaluating these models with kinetic Monte Carlo simulations will unambiguously identify the rate-determining and overpotential-creating steps and therewith provide the basis for a rational optimization of the overall process. As such our study will provide a key example of how systematic method development in computational approaches to basic energy sciences leads to breakthrough progress and serves both fundamental understanding and cutting-edge application.
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Background and Objectives: The project area is located in the Ashanti Region of Ghana / West Africa in the transition zone of the moist semideciduous forest and tropical savannah zone. Main land use in this region is subsistence agriculture with large fallow areas. As an alternative land-use, forest plantations are under development by the Ghanaian wood processing company DuPaul Wood Treatment Ltd. Labourers from the surrounding villages are employed as permanent or casual plantation workers. Within three forest plantation projects of approximately 6,000 ha, DuPaul offers an area of 164 ha (referred to as Papasi Plantation) - which is mainly planted with Teak (Tectona grandis) - for research purposes. In return, the company expects consultations to improve the management for sustainable timber and pole production with exotic and native tree species. Results: In a first research approach, the Papasi Plantation was assessed in terms of vegetation classification, timber resources (in qualitative and quantitative terms) and soil and site conditions. A permanent sampling plot system was established to enable long-term monitoring of stand dynamics including observation of stand response to silvicultural treatments. Site conditions are ideally suited for Teak and some stands show exceptionally good growth performances. However, poor weed management and a lack of fire control and silvicultural management led to high mortality and poor growth performance of some stands, resulting in relative low overall growth averages. In a second step, a social baseline study was carried out in the surrounding villages and identified landowner conflicts between some villagers and DuPaul, which could be one reason for the fire damages. However, the study also revealed a general interest for collaboration in agroforestry on DuPaul land on both sides. Thirdly, a silvicultural management concept was elaborated and an improved integration of the rural population into DuPaul's forest plantation projects is already initiated. If landowner conflicts can be solved, the development of forest plantations can contribute significantly to the economic income of rural households while environmental benefits provide long-term opportunities for sustainable development of the region. Funding: GTZ supported PPP-Measure, Foundation
Especially during the last decades, the natural forests of Ethiopia have been heavily disturbed by human activities. Some forests have been totally cleared and converted into fields for agricultural use, other suffered from different influences, such as heavy grazing and selective logging. The ongoing research in the Shashemane-Munessa-study area (Gu 406/8-1,2) showed clearly that, in spite of interdiction and control, forests continue to be cleared and degraded. However, it is not yet sufficiently known, how and why these processes are still going on. Growing population pressure and economic constraints for the people living in and around the forests contribute to the actual situation but allow no final answers to the complex situation. Concerning a sustainable management of the forests there is to no solid basis for recommendations from the socioeconomic and socio-cultural view. Therefore, a comprehensive analysis of the traditional needs and forms of forest use, including all forest products, is necessary. The objective of this project is, to achieve this basis by carrying out intensive field observations, the consultation of aerial photographs, satellite imagery and above all semi-structured interviews with the population in the study area in order to contribute to the recommendations for a sustainable use of the Munessa Shasemane forests.
Comprehension of belowground competition between plant species is a central part in understanding the complex interactions in intercropped agricultural systems, between crops and weeds as well as in natural ecosystems. So far, no simple and rapid method for species discrimination of roots in the soil exists. We will be developing a method for root discrimination of various species based on Fourier Transform Infrared (FTIR)-Attenuated Total Reflexion (ATR) Spectroscopy and expanding its application to the field. The absorbance patterns of FTIR-ATR spectra represent the chemical sample composition like an individual fingerprint. By means of multivariate methods, spectra will be grouped according to spectral and chemical similarity in order to achieve species discrimination. We will investigate pea and oat roots as well as maize and barnyard grass roots using various cultivars/proveniences grown in the greenhouse. Pea and oat are recommendable species for intercropping to achieve superior grain and protein yields in an environmentally sustainable manner. To evaluate the effects of intercropping on root distribution in the field, root segments will be measured directly at the soil profile wall using a mobile FTIR spectrometer. By extracting the main root compounds (lipids, proteins, carbohydrates) and recording their FTIR-ATR spectra as references, we will elucidate the chemical basis of species-specific differences.
Irrigation in the Yanqi Basin, Sinkiang, China has led to water table rise and soil salination. A model is used to assess management options. These include more irrigation with groundwater, water saving irrigation techniques and others. The model relies on input data from remote sensing.The Yanqi Basin is located in the north-western Chinese province of Xinjiang.This agriculturally highly productive region is heavily irrigated with water drawn from the Kaidu River. The Kaidu River itself is mainly fed by snow and glacier melt from the Tian Mountain surrounding the basin. A very poor drainage system and an overexploitation of surface water have lead to a series of environmental problems: 1. Seepage water under irrigated fields has raised the groundwater table during the last years, causing strongly increased groundwater evaporation. The salt dissolved in the groundwater accumulates at the soil surface as the groundwater evaporates. This soil salinization leads to degradation of vegetation as well as to a loss of arable farmland. 2. The runoff from the Bostan Lake to the downstream Corridor is limited since large amount of water is used for irrigation in the Yanqi Basin. Nowadays, the runoff is maintained by pumping water from the lake to the river. The environmental and ecological system is facing a serious threat.In order to improve the situation in the Yanqi Basin, a jointly funded cooperation has been set up by the Institute of Environmental Engineering, Swiss Federal Institute of Technology (ETH) , China Institute of Geological and Environmental Monitoring (CIGEM) and Xinjiang Agricultural University. The situation could in principle be improved by using groundwater for irrigation, thus lowering the groundwater table and saving unproductive evaporation. However, this is associated with higher cost as groundwater has to be pumped. The major decision variable to steer the system into a desirable state is thus the ratio of irrigation water pumped from the aquifer and irrigation water drawn from the river. The basis to evaluate the ideal ratio between river and groundwater - applied to irrigation - will be a groundwater model combined with models describing the processes of the unsaturated zone. The project will focus on the following aspects of research: (...)
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