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In the light of hybrid functional density-functional theory calculations of the core-excited and core-ionized states, this paper discusses original N 1s x-ray photoemission spectroscopy (XPS) and near-edge x-ray absorption fine-structure (NEXAFS) experimental data on the single-domain (vicinal) Si(001)-2x1 surface saturated by NH3 at 300 K. The theoretical approach enables to discuss the vibration
With the MAX IV project in Lund, Sweden, an ultralow emittance storage ring light source is going into user operation in 2016. Due to its multibend achromat lattice designthe 3 GeV storage ring reaches a horizontal emittance lower than 330 pm rad. Emittance diagnostics will involve two diagnostic beamlines to image the electron beam with infrared and ultraviolet synchrotron radiation from bending
Photochemical charge separation is key to biological solar energy conversion. Although many features of this highly quantum-efficient process have been described, others remain poorly understood. Herein, ultrafast fluorescence barospectroscopy is used for the first time to obtain insights into the mechanism of primary charge separation in a YM210W mutant bacterial reaction center under novel surro
Recording from AI Lund lunch seminar 18 May 2022 Title: Critical scenario identification for testing of autonomous driving systems Speaker: Qunying Song, WASP PhD Student, Department of Computer Science Lund University When: 18 May at 12.00-13.15 Where: Online Spoken language: English Abstract Testing of autonomous driving systems is a prerequisite to verify the safety and reliability of such sys
https://www.ai.lu.se/2022-05-18b - 2026-06-23
Using Ambient Pressure X-ray Photoelectron Spectroscopy (APXPS), this study investigates the reduction behavior of iron oxides in direct reduction (DRI) and blast furnace (BF) pellets. H2, CO, and a H2–CO mixture are used as reducing agents at 650 °C. The investigation aimed to elucidate variations in the rate of reduction over time and under different conditions. Additionally, contour plots are g
With Sweden and the EU aiming to reach net-zero carbon dioxide emissions by 2045 and 2050, the interest in carbon capture technology such as Carbon Capture and Storage (CCS) and Carbon Capture and Utilisation (CCU) is on the rise, not least in hard-to-abate sectors such as waste incineration. Several Swedish waste management actors are now considering CCS or CCU, among them Tekniska Verken i Linkö
[NiFe] hydrogenases catalyze the reversible conversion of molecular hydrogen to protons and electrons. This seemingly simple reaction has attracted much attention because of the prospective use of H2 as a clean fuel. In this paper, we have studied the full reaction mechanism of this enzyme with various computational methods. Geometries were obtained with combined quantum mechanical and molecular m
Developing new and useful methods in asymmetric catalysis is of continuous importance. A current challenge is to address the imperatives of green chemistry, such that processes maximize resource-efficiency and minimize the generation of waste. To this end, this article discloses the potential of alpha-amino acids in the development of entropy-controlled and enantiodivergent Lewis acid catalysis. I
We put forward an approach for the development of a nonlocal density functional by a direct modeling of the shape of exchange-correlation (xc) hole in inhomogeneous systems. The functional is aimed at giving an accurate xc energy and an accurate corresponding xc potential even in difficult near-degeneracy situations such as molecular bond breaking. In particular we demand that: (1) the xc hole pro
Effects of pilot H2 injection on the thermoacoustic instability of premixed CH4/air flames were experimentally investigated with varied hydrogen injection rates and different injection strategies. The flames were stabilized on a swirl burner with a central pilot-fuel injection tube. The flame structure was captured using high-speed OH* chemiluminescence and OH-PLIF methods, while the CO and NOx em
Carbon capture and storage technologies (CCS) are being discussed and tested in different countries to reduce industrial emissions. Public opinion about industrial CCS (iCCS) can be a key factor in whether it will be implemented. Yet, measuring public acceptance of CCS is a challenge: on the one hand, the use of CCS is the subject of intense and controversial political debate. On the other hand, a
[NiFe] hydrogenases catalyse the reversible conversion of molecular hydrogen to protons and electrons. This seemingly simple reaction has attracted much attention because of the prospective use of H2 as a clean fuel. In this paper, we have studied how H2 binds to the active site of this enzyme. Combined quantum mechanical and molecular mechanics (QM/MM) optimisation was performed to obtain the geo
This case study investigates the potentials, greenhouse gas (GHG), and energy performance of forest residue biofuels produced by new and emerging production technologies, which are commercially implemented in Sweden for heavy transport. The biofuel options included are ethanol (ED 95), hydro-processed vegetable oil (HVO), and liquefied biogas (LBG) produced from logging residues in forestry and sa
Microsoft Word - Masters_Thesis_Jamalya_Imanova_30.05.2011 Renewable Energy [R]evolution through Institutional Analysis in Azerbaijan: Case Study of Solar Photovoltaic Local Application LUMES Master Thesis By: Jamalya Imanova jamalya.imanova@gmail.com Supervisor: Dr. Barry NESS Lund University Center for Sustainability Science Lund, Sweden Barry.ness@lucsus.lu.se LUMES 2011 2 Abstract The objectiv
https://www.lumes.lu.se/sites/lumes.lu.se/files/imanova_jamalya_thesis_2011.pdf - 2026-06-25
A ternary Mg2COH5 hydride was synthesized using a novel method that relies on a relatively short mechanical milling time (1 h) of a 2:1 MgH2-Co powder mixture followed by sintering at a sufficiently high hydrogen pressure (>85 bar) and heating from RT to 500 degrees C. The ternary hydride forms in less than 2.5 h (including the milling time) with a yield of similar to 90% at similar to 300 degrees
Combustion of NH3 with H2 addition can improve the combustion stability. In this study, the laminar burning velocities (LBVs) of NH3/H2/O2/CO2 mixtures were determined under atmospheric pressure and an initial temperature of 303 K by the heat flux method, spanning CO2 fractions of 0.50-0.75, H2 fractions of 0.20-0.70, and equivalence ratios of 0.6-1.5. Evaluations of three kinetic models (modified
A Fuel cell is a highly efficient device for converting chemical energy in fuels to electrical energy and the electrical efficiency is strongly affected by the porosity in electrodes due to its close couplings with mass transfer and active sites for the electrochemical reactions, which will also cause changes in distribution of thermal stresses inside the electrodes. A three-dimensional computatio
Cell immobilization and co-culture techniques have gained attention due to its potential to obtain high volumetric hydrogen productivities (QH2). Chitosan retained biomass in the fermentation of co-cultures of Caldicellulosiruptor saccharolyticus and C. owensensis efficiently, up to a maximum dilution rate (D) of 0.9 h−1. Without chitosan, wash out of the co-culture occurred earlier, accompanied w
