{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,5,30]],"date-time":"2026-05-30T01:49:04Z","timestamp":1780105744631,"version":"3.54.0"},"reference-count":34,"publisher":"Elsevier BV","issue":"22","license":[{"start":{"date-parts":[[2003,11,1]],"date-time":"2003-11-01T00:00:00Z","timestamp":1067644800000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/tdm\/userlicense\/1.0\/"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Geochimica et Cosmochimica Acta"],"published-print":{"date-parts":[[2003,11]]},"DOI":"10.1016\/s0016-7037(03)00237-0","type":"journal-article","created":{"date-parts":[[2003,11,6]],"date-time":"2003-11-06T16:08:40Z","timestamp":1068134920000},"page":"4223-4230","source":"Crossref","is-referenced-by-count":644,"title":["Surface complexation of arsenic(V) to iron(III) (hydr)oxides: structural mechanism from ab initio molecular geometries and EXAFS spectroscopy"],"prefix":"10.1016","volume":"67","author":[{"given":"David M","family":"Sherman","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Simon R","family":"Randall","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"78","reference":[{"key":"10.1016\/S0016-7037(03)00237-0_BIB1","doi-asserted-by":"crossref","first-page":"183","DOI":"10.1021\/es00144a013","article-title":"Insight into the mechanism of accumulation of arsenate and phosphate in hydro lake sediments by measuring the rate of dissolution with ethylenediamine-tetraacetic acid","volume":"20","author":"Aggett","year":"1986","journal-title":"Environ. Sci. Technol."},{"key":"10.1016\/S0016-7037(03)00237-0_BIB2","doi-asserted-by":"crossref","first-page":"103","DOI":"10.1016\/0016-7037(90)90198-T","article-title":"Interactions between arsenic and iron oxyhydroxides in lacustrine sediments","volume":"54","author":"Belzile","year":"1990","journal-title":"Geochim. Cosmochim. Acta"},{"key":"10.1016\/S0016-7037(03)00237-0_BIB3","unstructured":"Binsted N (1998) EXCURV98: CCLRC Daresbury Laboratory computer program. Daresbury Laboratory, Warrington, U.K"},{"key":"10.1016\/S0016-7037(03)00237-0_BIB4","doi-asserted-by":"crossref","first-page":"11","DOI":"10.1016\/S0927-7757(00)00712-3","article-title":"Modeling proton binding at the goethite (\u03b1-FeOOH)-water interface","volume":"179","author":"Boily","year":"2001","journal-title":"Colloids and Surfaces A"},{"key":"10.1016\/S0016-7037(03)00237-0_BIB5","doi-asserted-by":"crossref","first-page":"1712","DOI":"10.1021\/es0110271","article-title":"Scavenging of as from acid mine drainage by schwertmannite and ferrihydrite","volume":"36","author":"Carlson","year":"2002","journal-title":"Env. Sci. Technol."},{"key":"10.1016\/S0016-7037(03)00237-0_BIB6","series-title":"A Guide to EXBACK, EXCALIB, and EXCURV92","author":"Dent","year":"1992"},{"key":"10.1016\/S0016-7037(03)00237-0_BIB7","doi-asserted-by":"crossref","first-page":"1757","DOI":"10.1021\/es010216g","article-title":"Mechanisms of arsenic uptake from aqueous solution by interaction with goethite, lepidocrocite, mackinawite, and pyrite","volume":"36","author":"Farquhar","year":"2002","journal-title":"Env. Sci. Tech."},{"key":"10.1016\/S0016-7037(03)00237-0_BIB8","doi-asserted-by":"crossref","first-page":"315","DOI":"10.1021\/es950653t","article-title":"Arsenate and chromate retention mechanisms on goethite. 1. Surface structure","volume":"31","author":"Fendorf","year":"1997","journal-title":"Envrion. Sci. Technol."},{"key":"10.1016\/S0016-7037(03)00237-0_BIB9","doi-asserted-by":"crossref","first-page":"553","DOI":"10.2138\/am-1998-5-616","article-title":"Quantitative speciation of arsenic in mine tailings using X-ray absorption spectroscopy","volume":"89","author":"Foster","year":"1998","journal-title":"American Mineralogist"},{"key":"10.1016\/S0016-7037(03)00237-0_BIB10","doi-asserted-by":"crossref","first-page":"87","DOI":"10.1016\/0016-7061(95)00023-H","article-title":"Evaluation for contaminant ion adsorption-desorption on goethite using pressure-jump relaxation kinetics","volume":"67","author":"Grossl","year":"1995","journal-title":"Geoderma"},{"key":"10.1016\/S0016-7037(03)00237-0_BIB11","doi-asserted-by":"crossref","first-page":"321","DOI":"10.1021\/es950654l","article-title":"Arsenate and chromate retention mechanisms on goethite. 2. Kinetic evaluation using a pressure-jump relaxation technique","volume":"31","author":"Grossl","year":"1997","journal-title":"Envrion. Sci. Technol."},{"key":"10.1016\/S0016-7037(03)00237-0_BIB12","doi-asserted-by":"crossref","first-page":"1845","DOI":"10.1088\/0022-3719\/19\/11\/021","article-title":"Multiple scattering rapid curved wave theory","volume":"19","author":"Gurman","year":"1986","journal-title":"J. Phys. C: Solid State Phys"},{"key":"10.1016\/S0016-7037(03)00237-0_BIB13","first-page":"1","article-title":"Effects of electron-electron and electron-phonon interactions on the one-electron states of solids","volume":"23","author":"Hedin","year":"1969","journal-title":"Solid State Phys"},{"key":"10.1016\/S0016-7037(03)00237-0_BIB14","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1016\/0927-7757(94)02752-8","article-title":"Characterization of arsenate adsorption on hydrous iron oxide using chemical and physical methods","volume":"85","author":"Hsia","year":"1994","journal-title":"Colloids Surfaces A - Physicochem. Eng. Aspects"},{"key":"10.1016\/S0016-7037(03)00237-0_BIB15","doi-asserted-by":"crossref","first-page":"1179","DOI":"10.1021\/es980722e","article-title":"Arsenite and arsenate adsorption on ferrihydrite","volume":"33","author":"Jain","year":"1999","journal-title":"Env. Sci. Technol."},{"key":"10.1016\/S0016-7037(03)00237-0_BIB16","doi-asserted-by":"crossref","first-page":"322","DOI":"10.1107\/S056774087500266X","article-title":"Refinement of the crystal structure of scorodite","volume":"B31","author":"Kitahama","year":"1975","journal-title":"Acta Crysta"},{"key":"10.1016\/S0016-7037(03)00237-0_BIB17","unstructured":"Kurchhof A., Pebler A., and Warkensten, eds. (1991) Inorganic crystal structure database (ICSD). Gmelin-Institute fur Anorganische Chemie"},{"key":"10.1016\/S0016-7037(03)00237-0_BIB18","doi-asserted-by":"crossref","first-page":"1211","DOI":"10.1016\/S0016-7037(00)00581-0","article-title":"Mechanism of anion retention from EXAFS and density functional calculations","volume":"65","author":"Ladeira","year":"2001","journal-title":"Geochim. Cosmochim. Acta"},{"key":"10.1016\/S0016-7037(03)00237-0_BIB19","doi-asserted-by":"crossref","first-page":"88","DOI":"10.1097\/00010694-198102000-00004","article-title":"Adsorption of arsenate by soils and its relation to selected chemical-properties and anions","volume":"131","author":"Livesey","year":"1981","journal-title":"Soil Sci"},{"key":"10.1016\/S0016-7037(03)00237-0_BIB20","doi-asserted-by":"crossref","first-page":"3647","DOI":"10.1016\/0016-7037(95)00275-5","article-title":"The mechanism of anion adsorption on iron oxides","volume":"59","author":"Manceau","year":"1995","journal-title":"Geochim. Cosmochim. Acta"},{"key":"10.1016\/S0016-7037(03)00237-0_BIB21","doi-asserted-by":"crossref","first-page":"15509","DOI":"10.1103\/PhysRevB.50.15509","article-title":"Multiple-scattering effects in x-ray absorption fine structure","volume":"50","author":"Pandya","year":"1994","journal-title":"Phys. Rev. B"},{"key":"10.1016\/S0016-7037(03)00237-0_BIB22","doi-asserted-by":"crossref","first-page":"6671","DOI":"10.1103\/PhysRevB.46.6671","article-title":"Atoms, molecules, solids, and surfaces - applications of the generalized gradient approximation for exchange and correlation","volume":"B46","author":"Perdew","year":"1992","journal-title":"Phys. Rev."},{"key":"10.1016\/S0016-7037(03)00237-0_BIB23","doi-asserted-by":"crossref","first-page":"1373","DOI":"10.1021\/es980949+","article-title":"Natural input of arsenic into a coral reef ecosystem by hydrothermal fluids and its removal by Fe(III) oxyhydroxides","volume":"33","author":"Pichler","year":"1999","journal-title":"Environmental Science and Technology"},{"key":"10.1016\/S0016-7037(03)00237-0_BIB24","doi-asserted-by":"crossref","first-page":"2971","DOI":"10.1016\/S0016-7037(99)00263-X","article-title":"The mechanism of cadmium surface complexation on iron oxyhydroxide minerals","volume":"63","author":"Randall","year":"1999","journal-title":"Geochim. Cosmochim. Acta"},{"key":"10.1016\/S0016-7037(03)00237-0_BIB25","unstructured":"Schwertmann U. and Cornell R. M. (1991) Iron oxides in the Laboratory: Preparation and Characterization. VCH Publishers. Weinheim"},{"key":"10.1016\/S0016-7037(03)00237-0_BIB26","doi-asserted-by":"crossref","first-page":"161","DOI":"10.1007\/BF00308210","article-title":"Electronic structures of Fe3+ coordination sites in iron oxides","volume":"12","author":"Sherman","year":"1985","journal-title":"Phys. Chem. Mineral."},{"key":"10.1016\/S0016-7037(03)00237-0_BIB27","doi-asserted-by":"crossref","first-page":"1465","DOI":"10.1016\/0016-7037(96)00040-3","article-title":"Diagenetic cycling of arsenic in Amazon shelf sediments","volume":"60","author":"Sullivan","year":"1996","journal-title":"Geochim. Cosmochim. Acta"},{"key":"10.1016\/S0016-7037(03)00237-0_BIB28","doi-asserted-by":"crossref","first-page":"865","DOI":"10.1097\/00010694-199612000-00006","article-title":"An investigation of arsenate and arsenite bonding structures on goethite by FTIR","volume":"161","author":"Sun","year":"1996","journal-title":"Soil Science"},{"key":"10.1016\/S0016-7037(03)00237-0_BIB29","doi-asserted-by":"crossref","first-page":"931","DOI":"10.1002\/jcc.1056","article-title":"Chemistry with ADF","volume":"22","author":"te Velde","year":"2001","journal-title":"Journal of Computational Chemistry"},{"key":"10.1016\/S0016-7037(03)00237-0_BIB30","doi-asserted-by":"crossref","first-page":"1200","DOI":"10.1139\/p80-159","article-title":"Accurate spin-dependent electron liquid correlation energy for local spin density calculations","volume":"58","author":"Vosko","year":"1980","journal-title":"Can. J. Phys."},{"key":"10.1016\/S0016-7037(03)00237-0_BIB31","doi-asserted-by":"crossref","first-page":"2251","DOI":"10.1016\/0016-7037(93)90567-G","article-title":"Surface chemistry of ferrihydrite. 1. EXAFS studies of the geometry of coprecipitated and adsorbed arsenate","volume":"57","author":"Waychunas","year":"1993","journal-title":"Geochim. Cosmochim. Acta"},{"key":"10.1016\/S0016-7037(03)00237-0_BIB32","doi-asserted-by":"crossref","first-page":"3655","DOI":"10.1016\/0016-7037(95)00276-6","article-title":"Geometry of sorbed arsenate on ferrihydrite and crystalline FeOOH","volume":"59","author":"Waychunas","year":"1995","journal-title":"Geochim. Cosmochim. Acta"},{"key":"10.1016\/S0016-7037(03)00237-0_BIB33","doi-asserted-by":"crossref","first-page":"1765","DOI":"10.1016\/0016-7037(96)89830-9","article-title":"Wide angle X-ray scattering (WAXS) of \u201ctwo-line\u201d ferrihydrite structure","volume":"60","author":"Waychunas","year":"1996","journal-title":"Geochim. Cosmochim. Acta"},{"key":"10.1016\/S0016-7037(03)00237-0_BIB34","doi-asserted-by":"crossref","first-page":"97","DOI":"10.1016\/0927-7757(95)03368-8","article-title":"Adsorption of arsenic onto hydrous ferric oxide - effects of adsorbate\/adsorbent ratios and co-occurring solute","volume":"107","author":"Wilkie","year":"1996","journal-title":"Colloids and Surfaces A - Physicochem. Eng. Aspects"}],"container-title":["Geochimica et Cosmochimica Acta"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S0016703703002370?httpAccept=text\/plain","content-type":"text\/plain","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S0016703703002370?httpAccept=text\/xml","content-type":"text\/xml","content-version":"vor","intended-application":"text-mining"}],"deposited":{"date-parts":[[2019,2,17]],"date-time":"2019-02-17T09:55:53Z","timestamp":1550397353000},"score":1,"resource":{"primary":{"URL":"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0016703703002370"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2003,11]]},"references-count":34,"journal-issue":{"issue":"22","published-print":{"date-parts":[[2003,11]]}},"alternative-id":["S0016703703002370"],"URL":"https:\/\/doi.org\/10.1016\/s0016-7037(03)00237-0","relation":{},"ISSN":["0016-7037"],"issn-type":[{"value":"0016-7037","type":"print"}],"subject":[],"published":{"date-parts":[[2003,11]]}}}