Work functions of self-assembled monolayers on metal surfaces

Using first-principles calculations we show that the work function of noble metals can be decreased or increased by up to 2 eV upon the adsorption of self-assembled monolayers of organic molecules. We identify the contributions to these changes for several (fluorinated) thiolate molecules adsorbed on Ag(111), Au(111) and Pt(111) surfaces. The work function of the clean metal surfaces increases in this order, but adsorption of the monolayers reverses the order completely. Bonds between the thiolate molecules and the metal surfaces generate an interface dipole, whose size is a function of the metal, but it is relatively independent of the molecules. The molecular and bond dipoles can then be added to determine the overall work function.Comment: 5 pages, 2 figure

First-principles study of the interaction and charge transfer between graphene and metals

Measuring the transport of electrons through a graphene sheet necessarily involves contacting it with metal electrodes. We study the adsorption of graphene on metal substrates using first-principles calculations at the level of density functional theory. The bonding of graphene to Al, Ag, Cu, Au and Pt(111) surfaces is so weak that its unique "ultrarelativistic" electronic structure is preserved. The interaction does, however, lead to a charge transfer that shifts the Fermi level by up to 0.5 eV with respect to the conical points. The crossover from p-type to n-type doping occurs for a metal with a work function ~5.4 eV, a value much larger than the work function of free-standing graphene, 4.5 eV. We develop a simple analytical model that describes the Fermi level shift in graphene in terms of the metal substrate work function. Graphene interacts with and binds more strongly to Co, Ni, Pd and Ti. This chemisorption involves hybridization between graphene $p_z$-states and metal d-states that opens a band gap in graphene. The graphene work function is as a result reduced considerably. In a current-in-plane device geometry this should lead to n-type doping of graphene.Comment: 12 pages, 9 figure

Surface Dipoles and Work Functions of Alkylthiolates and Fluorinated Alkylthiolates on Au(111)

We study the dipole formation at the surface formed by -CH3 and -CF3 terminated shortchain alkyl-thiolate monolayers on Au(111). In particular, we monitor the change in work function upon chemisorption using density functional theory calculations. We separate the surface dipole into two contributions, resulting from the gold-adsorbate interaction and the intrinsic dipole of the adsorbate layer, respectively. The two contributions turn out to be approximately additive. Adsorbate dipoles are defined by calculating dipole densities of free-standing molecular monolayers. The gold-adsorbate interaction is to a good degree determined by the Au-S bond only. This bond is nearly apolar and its contribution to the surface dipole is relatively small. The surface dipole of the self-assembled monolayer is then dominated by the intrinsic dipole of the thiolate molecules. Alkyl-thiolates increase the work function of Au(111), whereas fluorinated alkyl-thiolates decrease it.Comment: 24 pages, 5 figures, 4 table

The impact of an educational program in the management of patients with chronic hepatitis C

Introduction: This study was designed to measure the impact of lifestyle changes, involving a diet therapy and physical exercises in patients with chronic hepatitis C (CHC). Methods: The study was conducted during January 2008 - December 2009 at ”Prof. N. Paulescu” National Institute of Diabetes, Nutrition and Metabolic Diseases - Bucharest, Romania. We selected 67 patients (34 men/33 women). We performed anthropometric measurements (weight, height, BMI (body mass index), bioimpedance analysis (BIA) as well as fasting serum lipids (cholesterol, triglycerides, HDL-cholesterol), glucose profile (glucose, HbA1c), liver profile (ALT, AST, GGT, alkaline phosphatase, bilirubin, albumin, total protein), blood count for all patients at baseline. Results: The average age was 53.91±10.19 years. Obesity was present in 32.8% (n=22) of patients at baseline. Total fat mass decreased with weight loss 2.21 kg (p = 0.0001) respectively 3.17 kg (p = 0.0001). Weight loss was accompanied by decreased resting energy expenditure. Triglycerides decreased from 158.11±7.63 mg/dl to 134.88±6.1 mg/dl, cholesterol decreased from 187.3±6.8 mg/dl to 168.65±4.42 mg/dl and HDL-cholesterol increased from 45.13±1.9 mg/dl to 47.2±1.39 mg/dl after 12 months. Aspartaminotransferase, alaninaminotransferese, gamma-glutamil transpeptidase decreased with significant differences. Conclusions: Patients with hepatitis C undergoing an 1-year lifestyle intervention had significant improvements in fasting glucose, fasting insulin, HOMA-IR, lipidic profile, hepatic profile and adipose tissue distribution. The present study establishes the positive impact of an educational program in the management of patients with hepatitis C

Statin therapy in patients with diabetes and hepatitis C

The objective of this study was to determine the effects of statin therapy (atorvastatin) on serum aspartate aminotransferase (AST) and alanine aminotransferase (ALT) levels in patients with type 2 diabetes mellitus (T2DM) and chronic hepatitis C (CHC). A number of 77 patients with T2DM and CHC were selected, treated with atorvastatin, 20 mg, for 6 months, who underwent anthropometric measurements and biochemical tests (including fasting serum glucose, lipid profile, liver profile, cytokines profile) at baseline, after 1 month (clinical and biochemical profile for safety) and after 6 months of treatment. The patients’ average age was 52.53±9.7 years. Plasma low-density lipoprotein cholesterol (LDL-C) (-32.4 mg/dL), triglycerides (-29.7 mg/dL), total cholesterol (-32.8 mg/dL) decreased (p<0.05), and high-density lipoprotein cholesterol (HDL-C) (+3.04 mg/dL) increased (p<0.05), after 6 months. Atorvastatin treatment was associated with decreases of AST, ALT, and also leptin and interleukin-6 (IL-6) levels (all p<0.05) but we did not find any effect on plasma tumor necrosis factor-alpha (TNF-α) (p=0.119). Atorvastatin was an effective and well tolerated treatment for lowering total cholesterol, LDL-C, triglycerides in patients with CHC. Among patients with CHC there was no significant elevation of liver enzymes during statin treatment, and we even noticed an improvement of hepatic profile