Publication Information

{'id': 'https://openalex.org/W2403562734', 'doi': 'https://doi.org/10.2138/am-2002-5-610', 'title': 'Surface structures, stabilities, and growth of magnesian calcites: A computational investigation from the perspective of dolomite formation', 'display_name': 'Surface structures, stabilities, and growth of magnesian calcites: A computational investigation from the perspective of dolomite formation', 'publication_year': 2002, 'publication_date': '2002-05-01', 'ids': {'openalex': 'https://openalex.org/W2403562734', 'doi': 'https://doi.org/10.2138/am-2002-5-610', 'mag': '2403562734'}, 'language': 'en', 'primary_location': {'is_oa': False, 'landing_page_url': 'https://doi.org/10.2138/am-2002-5-610', 'pdf_url': None, 'source': {'id': 'https://openalex.org/S80733542', 'display_name': 'American Mineralogist', 'issn_l': '0003-004X', 'issn': ['0003-004X', '1945-3027'], 'is_oa': False, 'is_in_doaj': False, 'is_core': True, 'host_organization': 'https://openalex.org/P4310319932', 'host_organization_name': 'Mineralogical Society of America', 'host_organization_lineage': ['https://openalex.org/P4310319932'], 'host_organization_lineage_names': ['Mineralogical Society of America'], 'type': 'journal'}, 'license': None, 'license_id': None, 'version': None, 'is_accepted': False, 'is_published': False}, 'type': 'article', 'type_crossref': 'journal-article', 'indexed_in': ['crossref'], 'open_access': {'is_oa': False, 'oa_status': 'closed', 'oa_url': None, 'any_repository_has_fulltext': False}, 'authorships': [{'author_position': 'first', 'author': {'id': 'https://openalex.org/A5020724622', 'display_name': 'Nora H. de Leeuw', 'orcid': 'https://orcid.org/0000-0002-8271-0545'}, 'institutions': [{'id': 'https://openalex.org/I71052956', 'display_name': 'University of Reading', 'ror': 'https://ror.org/05v62cm79', 'country_code': 'GB', 'type': 'education', 'lineage': ['https://openalex.org/I71052956']}], 'countries': ['GB'], 'is_corresponding': True, 'raw_author_name': 'Nora H. De Leeuw', 'raw_affiliation_strings': ['Department of Chemistry, University of Reading, Whiteknights, Reading RG6 6AD, U.K.'], 'affiliations': [{'raw_affiliation_string': 'Department of Chemistry, University of Reading, Whiteknights, Reading RG6 6AD, U.K.', 'institution_ids': ['https://openalex.org/I71052956']}]}], 'institution_assertions': [], 'countries_distinct_count': 1, 'institutions_distinct_count': 1, 'corresponding_author_ids': ['https://openalex.org/A5020724622'], 'corresponding_institution_ids': ['https://openalex.org/I71052956'], 'apc_list': None, 'apc_paid': None, 'fwci': 0.738, 'has_fulltext': True, 'fulltext_origin': 'ngrams', 'cited_by_count': 43, 'citation_normalized_percentile': {'value': 0.93356, 'is_in_top_1_percent': False, 'is_in_top_10_percent': True}, 'cited_by_percentile_year': {'min': 91, 'max': 92}, 'biblio': {'volume': '87', 'issue': '5-6', 'first_page': '679', 'last_page': '689'}, 'is_retracted': False, 'is_paratext': False, 'primary_topic': {'id': 'https://openalex.org/T11278', 'display_name': 'Calcium Carbonate Crystallization and Inhibition', 'score': 0.9998, 'subfield': {'id': 'https://openalex.org/subfields/2502', 'display_name': 'Biomaterials'}, 'field': {'id': 'https://openalex.org/fields/25', 'display_name': 'Materials Science'}, 'domain': {'id': 'https://openalex.org/domains/3', 'display_name': 'Physical Sciences'}}, 'topics': [{'id': 'https://openalex.org/T11278', 'display_name': 'Calcium Carbonate Crystallization and Inhibition', 'score': 0.9998, 'subfield': {'id': 'https://openalex.org/subfields/2502', 'display_name': 'Biomaterials'}, 'field': {'id': 'https://openalex.org/fields/25', 'display_name': 'Materials Science'}, 'domain': {'id': 'https://openalex.org/domains/3', 'display_name': 'Physical Sciences'}}, {'id': 'https://openalex.org/T11877', 'display_name': 'Iron oxide chemistry and applications', 'score': 0.9919, 'subfield': {'id': 'https://openalex.org/subfields/2105', 'display_name': 'Renewable Energy, Sustainability and the Environment'}, 'field': {'id': 'https://openalex.org/fields/21', 'display_name': 'Energy'}, 'domain': {'id': 'https://openalex.org/domains/3', 'display_name': 'Physical Sciences'}}, {'id': 'https://openalex.org/T11302', 'display_name': 'CO2 Sequestration and Geologic Interactions', 'score': 0.9882, 'subfield': {'id': 'https://openalex.org/subfields/2305', 'display_name': 'Environmental Engineering'}, 'field': {'id': 'https://openalex.org/fields/23', 'display_name': 'Environmental Science'}, 'domain': {'id': 'https://openalex.org/domains/3', 'display_name': 'Physical Sciences'}}], 'keywords': [{'id': 'https://openalex.org/keywords/magnesite', 'display_name': 'Magnesite', 'score': 0.98268175}], 'concepts': [{'id': 'https://openalex.org/C2780181037', 'wikidata': 'https://www.wikidata.org/wiki/Q371542', 'display_name': 'Dolomite', 'level': 2, 'score': 0.9843824}, {'id': 'https://openalex.org/C2779117930', 'wikidata': 'https://www.wikidata.org/wiki/Q425450', 'display_name': 'Magnesite', 'level': 3, 'score': 0.98268175}, {'id': 'https://openalex.org/C2780191791', 'wikidata': 'https://www.wikidata.org/wiki/Q171917', 'display_name': 'Calcite', 'level': 2, 'score': 0.9576405}, {'id': 'https://openalex.org/C2780659211', 'wikidata': 'https://www.wikidata.org/wiki/Q181699', 'display_name': 'Carbonate', 'level': 2, 'score': 0.6020502}, {'id': 'https://openalex.org/C543218039', 'wikidata': 'https://www.wikidata.org/wiki/Q660', 'display_name': 'Magnesium', 'level': 2, 'score': 0.60168177}, {'id': 'https://openalex.org/C199289684', 'wikidata': 'https://www.wikidata.org/wiki/Q83353', 'display_name': 'Mineralogy', 'level': 1, 'score': 0.53746057}, {'id': 'https://openalex.org/C150394285', 'wikidata': 'https://www.wikidata.org/wiki/Q180254', 'display_name': 'Adsorption', 'level': 2, 'score': 0.4904327}, {'id': 'https://openalex.org/C179104552', 'wikidata': 'https://www.wikidata.org/wiki/Q11165', 'display_name': 'Inorganic chemistry', 'level': 1, 'score': 0.3677438}, {'id': 'https://openalex.org/C185592680', 'wikidata': 'https://www.wikidata.org/wiki/Q2329', 'display_name': 'Chemistry', 'level': 0, 'score': 0.36393118}, {'id': 'https://openalex.org/C42360764', 'wikidata': 'https://www.wikidata.org/wiki/Q83588', 'display_name': 'Chemical engineering', 'level': 1, 'score': 0.35450882}, {'id': 'https://openalex.org/C127313418', 'wikidata': 'https://www.wikidata.org/wiki/Q1069', 'display_name': 'Geology', 'level': 0, 'score': 0.34987825}, {'id': 'https://openalex.org/C147789679', 'wikidata': 'https://www.wikidata.org/wiki/Q11372', 'display_name': 'Physical chemistry', 'level': 1, 'score': 0.12220013}, {'id': 'https://openalex.org/C178790620', 'wikidata': 'https://www.wikidata.org/wiki/Q11351', 'display_name': 'Organic chemistry', 'level': 1, 'score': 0.050596595}, {'id': 'https://openalex.org/C127413603', 'wikidata': 'https://www.wikidata.org/wiki/Q11023', 'display_name': 'Engineering', 'level': 0, 'score': 0.0}], 'mesh': [], 'locations_count': 1, 'locations': [{'is_oa': False, 'landing_page_url': 'https://doi.org/10.2138/am-2002-5-610', 'pdf_url': None, 'source': {'id': 'https://openalex.org/S80733542', 'display_name': 'American Mineralogist', 'issn_l': '0003-004X', 'issn': ['0003-004X', '1945-3027'], 'is_oa': False, 'is_in_doaj': False, 'is_core': True, 'host_organization': 'https://openalex.org/P4310319932', 'host_organization_name': 'Mineralogical Society of America', 'host_organization_lineage': ['https://openalex.org/P4310319932'], 'host_organization_lineage_names': ['Mineralogical Society of America'], 'type': 'journal'}, 'license': None, 'license_id': None, 'version': None, 'is_accepted': False, 'is_published': False}], 'best_oa_location': None, 'sustainable_development_goals': [{'id': 'https://metadata.un.org/sdg/6', 'display_name': 'Clean water and sanitation', 'score': 0.63}], 'grants': [], 'datasets': [], 'versions': [], 'referenced_works_count': 50, 'referenced_works': ['https://openalex.org/W1904346731', 'https://openalex.org/W1917973071', 'https://openalex.org/W1956498589', 'https://openalex.org/W1967366110', 'https://openalex.org/W1975656408', 'https://openalex.org/W1979310119', 'https://openalex.org/W1980842826', 'https://openalex.org/W1983292021', 'https://openalex.org/W1985437660', 'https://openalex.org/W1985970453', 'https://openalex.org/W1991794210', 'https://openalex.org/W2008926225', 'https://openalex.org/W2013202432', 'https://openalex.org/W2013722136', 'https://openalex.org/W2015652337', 'https://openalex.org/W2015936847', 'https://openalex.org/W2017196167', 'https://openalex.org/W2021188476', 'https://openalex.org/W2027955042', 'https://openalex.org/W2036807578', 'https://openalex.org/W2042331662', 'https://openalex.org/W2042698123', 'https://openalex.org/W2043033779', 'https://openalex.org/W2043538679', 'https://openalex.org/W2043856310', 'https://openalex.org/W2068720575', 'https://openalex.org/W2069151560', 'https://openalex.org/W2077750240', 'https://openalex.org/W2078805277', 'https://openalex.org/W2079757306', 'https://openalex.org/W2085746544', 'https://openalex.org/W2088008856', 'https://openalex.org/W2088103696', 'https://openalex.org/W2092645948', 'https://openalex.org/W2098254178', 'https://openalex.org/W2099304207', 'https://openalex.org/W2122399501', 'https://openalex.org/W2133398290', 'https://openalex.org/W2147491471', 'https://openalex.org/W2147742150', 'https://openalex.org/W2289197475', 'https://openalex.org/W2311335497', 'https://openalex.org/W2319023548', 'https://openalex.org/W2323178299', 'https://openalex.org/W2394635118', 'https://openalex.org/W2461784935', 'https://openalex.org/W2520657468', 'https://openalex.org/W2522817001', 'https://openalex.org/W2526586607', 'https://openalex.org/W2999259853'], 'related_works': ['https://openalex.org/W3136290827', 'https://openalex.org/W2788844219', 'https://openalex.org/W2494678824', 'https://openalex.org/W2107821007', 'https://openalex.org/W2083956345', 'https://openalex.org/W2072669132', 'https://openalex.org/W2036150748', 'https://openalex.org/W2028149558', 'https://openalex.org/W2001938071', 'https://openalex.org/W1985720867'], 'abstract_inverted_index': {'Atomistic': [0], 'computer': [1], 'modeling': [2], 'methods': [3], 'are': [4, 26, 140, 162, 181], 'used': [5], 'to': [6, 52, 107, 125, 146, 183, 244], 'investigate': [7], 'the': [8, 39, 53, 69, 79, 94, 99, 102, 113, 118, 128, 135, 143, 163, 199, 235, 247, 253, 263, 281], 'surface': [9, 42, 59, 70, 103, 108], 'structures': [10], 'and': [11, 16, 61, 110, 154, 203, 249, 267], 'stabilities': [12], 'of': [13, 68, 96, 101, 112, 122, 131, 177, 198, 201, 230, 246, 269, 283], 'magnesite': [14, 40, 88, 126], 'MgCO3': [15, 204], 'dolomite': [17, 58, 97, 123, 164, 192], 'MgCa(CO3)2': [18], 'in': [19, 93, 278, 287], 'comparison': [20], 'with': [21, 280], 'calcite,': [22, 152], 'CaCO3.': [23], 'The': [24, 65], 'surfaces': [25, 86, 157, 176], 'generally': [27], 'more': [28, 44, 185, 274], 'stable': [29, 45, 170, 186], 'than': [30, 35, 46, 171, 187, 276], 'magnesite,': [31], 'but': [32, 225], 'less': [33, 54, 169], 'so': [34], 'calcite.': [36], 'Upon': [37], 'hydration,': [38], '{101̅4}': [41], 'becomes': [43], 'either': [47, 188], 'calcite': [48, 156, 173, 190, 209, 223], 'or': [49, 191], 'dolomite,': [50, 153], 'due': [51, 106], 'favorable': [55, 275], 'interactions': [56], 'between': [57, 134], 'ions': [60, 72, 251], 'adsorbing': [62, 74], 'water': [63, 75, 137], 'molecules.': [64], 'high': [66], 'affinity': [67], 'magnesium': [71, 104], 'for': [73, 87, 151], 'molecules,': [76], 'shown': [77], 'by': [78, 98], 'large': [80], 'average': [81, 148], 'hydration': [82, 149], 'energy': [83], 'over': [84], 'all': [85], '(134': [89], 'kJ/mol),': [90], 'is': [91, 217, 260, 271], 'negated': [92], 'case': [95], 'inaccessibility': [100], 'ions,': [105], 'relaxations': [109], 'rotation': [111], 'carbonate': [114], 'groups.': [115], 'In': [116], 'addition,': [117], 'larger': [119], 'lattice': [120], 'spacing': [121], 'compared': [124], 'disrupts': [127], 'extensive': [129], 'network': [130], 'hydrogen': [132], 'bonding': [133], 'adsorbed': [136], 'molecules': [138], 'that': [139], 'present': [141], 'on': [142, 213, 252], 'latter,': [144], 'leading': [145], 'similar': [147], 'energies': [150], 'magnesian': [155, 179, 285], '(80-101': [158], 'kJ/mol).': [159], 'Not': [160], 'only': [161], 'planes': [165], 'under': [166], 'aqueous': [167], 'conditions': [168], 'their': [172], 'counterparts,': [174], 'dolomite-like': [175], 'disordered': [178, 258], 'calcites': [180, 286], 'calculated': [182], 'be': [184], 'pure': [189], 'surfaces.': [193], 'Extensive': [194], 'molecular': [195], 'dynamics': [196], 'simulations': [197], 'growth': [200, 255, 265], 'CaCO3': [202], 'at': [205, 262], 'two': [206], 'experimentally': [207], 'observed': [208], 'steps': [210], 'show': [211], 'that,': [212], 'thermodynamic': [214], 'grounds,': [215], 'Mg': [216, 250, 270], 'easily': [218], 'incorporated': [219], 'into': [220], 'a': [221, 238, 257], 'growing': [222], 'crystal,': [224], 'will': [226], 'then': [227], 'inhibit': [228], 'incorporation': [229, 268], 'further': [231], 'Ca.': [232], 'Furthermore,': [233], 'although': [234], 'calculations': [236], 'suggest': [237], 'small': [239], 'energetic': [240], 'advantage': [241], '(~10': [242], 'kJ/mol)': [243], 'ordering': [245], 'Ca': [248], 'obtuse': [254], 'step,': [256], 'arrangement': [259], 'favored': [261], 'acute': [264], 'step': [266], 'always': [272], 'energetically': [273], 'Ca,': [277], 'accord': [279], 'occurrence': [282], 'highly': [284], 'nature.': [288]}, 'cited_by_api_url': 'https://api.openalex.org/works?filter=cites:W2403562734', 'counts_by_year': [{'year': 2024, 'cited_by_count': 2}, {'year': 2023, 'cited_by_count': 2}, {'year': 2022, 'cited_by_count': 1}, {'year': 2021, 'cited_by_count': 3}, {'year': 2020, 'cited_by_count': 2}, {'year': 2019, 'cited_by_count': 3}, {'year': 2018, 'cited_by_count': 1}, {'year': 2017, 'cited_by_count': 1}, {'year': 2016, 'cited_by_count': 1}, {'year': 2015, 'cited_by_count': 1}, {'year': 2014, 'cited_by_count': 3}, {'year': 2013, 'cited_by_count': 6}, {'year': 2012, 'cited_by_count': 2}], 'updated_date': '2025-01-04T17:44:29.332521', 'created_date': '2016-06-24'}